Vibrational spectra and normal coordinate analysis on structure of nitrazepam
|
|
- Edwin Daniel
- 6 years ago
- Views:
Transcription
1 Indian Journal of Pure & Applied Physics Vol. 46, March 2008, pp Vibrational spectra and normal coordinate analysis on structure of nitrazepam S Gunasekaran*, R Arunbalaji*, S Seshadri + & S Muthu *Spectrophysics Research Laboratory, Department of Physics, Pachaiyappa s College, Chennai Department of Physics, Sri Chandrasekharendra Saraswathi Viswa Maha Vidyalaya, Enathur, Kanchipuram Department of Applied Physics, Sri Venkateswara College of Engineering, Sriperumbudur arunbalaji_81@yahoo.com Received 14 February 2006; revised 18 July 2007; accepted 12 December 2007 A normal coordinate analysis on nitrazepam has been carried out with a set of symmetry co-ordinates following Wilson's F-G matrix method. The potential constants evaluated for the molecule are found to be in good agreement with literature values thereby conforming the vibrational assignments. To check whether the chosen set of vibrational frequencies contributes maximum to the potential energy associated with the normal co-ordinates of the molecule, the potential energy distribution has been evaluated. Keywords: Fourier Transform infrared spectrum, Fourier Transform Raman spectrum, Nitrazepam, Normal coordinate analysis, potential energy distribution 1 Introduction Nitrazepam, a derivative of benzodiazepine has more prominent anticonvulsant activity than any other derivative of benzodiazepine. Nitrazepam has been shown to actually increase rapid eye movement (REM) sleep. It is taken at bedtime and induces sleep 1,2 in 20-30min with duration of up to 8 h. The molecular formula of nitrazepam is (C 15 H 11 N 3 O 3 ) which is chemically known as 9-nitro-6-phenyl-2, 5-diazabicycio[5,4,0]undeca-5,8,10,12-tetraen-3-one. Recent spectroscopic studies of benzene and its derivatives have been carried out due to their biological and pharmaceutical importance. An extensive work has been carried out on the title compound and its derivatives in the recent year 3,4. But so far no work has been done on vibrational spectra and normal co-ordinate analysis of this drug, because of their high complexity and low symmetry and it is also difficult to interpret the spectra of this molecule. The FTIR and FT Raman spectra are recorded for these molecule and complete vibrational band assignments have been made. A systematic set of symmetry co-ordinates has been constructed on the basis of C s symmetry and a normal co-ordinate analysis of this molecule has been carried out using Wilson's F-G matrix method. The potential energy distribution has been evaluated. 2 Experimental Details Spectroscopic grade pure sample of nitrazepam procured from Sigma Chemical Company, USA and used as such without further purification. The FTIR spectrum of the compound has been recorded in the region cm -1 in evacuation mode using KBr pellet pressed technique with 4.0 cm -1 resolution, at Dr. CEEAL Laboratories, Chennai, India. The FT Raman spectrum has been recorded in the region cm -1 in purge mode using YAG laser of 200 mw at Central Electro Chemical Research Institute, Karaikudi, Tamil Nadu. FTIR and FT Raman spectra of nitrazepam are shown in Figures 1 and 2, 3 Normal Coordinate Analysis Nitrazepam has 60 fundamental modes of vibration under C s symmetry point group which are distributed as Г vib = 40 A' + 20 A". All the fundamental modes are active both in FTIR and Raman. Out of forty modes of vibrations, 29 modes in A' species and only 12 in A" species are considered in the present work. The structure, orientation of the principle axes and the nomenclature of the parameters of the nitrazepam molecule are shown in Fig. 3. The molecular
2 GUNASEKARAN et al.: VIBRATIONAL SPECTRA AND NORMAL COORDINATE ANALYSIS 163 Fig. 1 FTIR spectrum of nitrazepam Fig. 2 FT Raman Spectrum of nitrazepam parameters (bond angle and bond lengths) are taken from ChemSoft Trial version10.0 and are presented in Table Symmetry coordinates The symmetry coordinates of the compound under study are constructed using the internal coordinates with the knowledge of the projection operator and with the help of the character table. The following are the set of orthonormal symmetry co-ordinates considered in the present work. A' species S 1 = 1/ 6 [Δp 1 + Δp 2 + Δp 3 + Δp 4 + Δp 5 + Δp 6 ] S 2 = 1/ 3 [Δb 1 + Δb 2 + Δb 3 ]
3 164 INDIAN J PURE & APPL PHYS, VOL 46, MARCH 2008 Fig. 3 Structure, nomenclature of parameters and the orientation of the principal axes of nitrazepam and 3D view S 3 = 1/ 3 [Δg 1 + Δg 2 + Δg 3 ] S 4 = 1/ 2 [Δc 1 + Δc 2 ] S 5 = 1/ 2 [Δe 1 + Δe 2 ] S 6 = 1/ 2 [Δr 1 + Δr 2 ] S 7 = Δj S 8 = Δa S 9 = Δd S 10 = Δt S 11 = Δh S 12 = 1/ 6 [Δα 1 + Δα 2 + Δα 3 + Δα 4 + Δα 5 + Δα 6 ] S 13 = 1/ 6 [Δβ 1 + Δβ 2 + Δβ 3 + Δβ 4 + Δβ 5 + Δβ 6 ] S 14 = 1/ 3 [Δτ 1 + Δτ 2 + Δτ 2 ] S 15 = 1/ 2 [Δσ 1 + Δσ 2 ] S 16 = 1/ 2 [Δθ 1 + Δθ 2 ] Table 1 Molecular parameters of nitrazepam Nature of bond length/bond angle Description Molecular Parameters N 1 C 2 b Å N 1 C 8 b Å N 1 H 16 a Å C 2 C 3 c Å C 2 O 12 d Å C 3 N 4 b Å C 3 H 18 e Å C 3 H 19 e Å N 4 C 5 t Å C 5 C 6 c Å C 5 X 17 h Å C 6 C 17 p Å C 6 C 8 p Å C 7 C 11 p Å C 8 C 9 p Å C 8 H 20 g Å C 9 C 10 p Å C 9 N 13 j Å C 10 C 11 p Å C 10 H 21 g Å C 11 H 22 g Å N 13 O 14 r Å N 13 O 15 r Å C 3 C 2 N 1 τ O 12 C 2 N 1 χ O 12 C 2 C 3 ψ C 7 N 1 C 2 Σ H 16 N 1 C 2 θ H 16 N 1 C 7 θ C 6 C 7 N 1 τ C 11 C 7 N 1 ξ C 11 C 7 C 6 α C 8 C 6 C 7 α C 10 C 11 C 7 α H 22 C 11 C 7 β H 22 C 11 C 10 β C 6 C 5 N 4 γ X 17 C 5 N 4 ρ X 17 C 5 C 6 ϕ C 9 C 8 C 6 α H 20 C 8 C 6 β H 20 C 8 C 9 β C 10 C 9 C 8 α N 13 C 9 C 8 σ N 13 C 9 C 10 σ C 11 C 10 C 9 α H 21 C 10 C 9 β H 21 C 10 C 11 β C 5 N 4 C 3 λ O 14 N 13 C 9 η O 15 N 13 C 9 η O 15 N 13 O 14 φ N 4 C 3 C 2 τ H 18 C 3 C 2 π H 19 C 3 N 4 μ H 19 C 3 H 18 ω
4 GUNASEKARAN et al.: VIBRATIONAL SPECTRA AND NORMAL COORDINATE ANALYSIS 165 S 17 = 1/ 2 [Δη 1 + Δη 2 ] S 18 = Δφ S 19 = Δξ S 20 = Δ S 21 = Δχ S 22 = Δψ S 23 = Δπ S 24 = Δω S 25 = Δμ S 26 = Δλ S 27 = Δρ S 28 = Δγ S 29 = Δϕ A" species S 30 = 1/ 12 [2Δp 1 Δp 2 Δp 3 + 2Δp 4 Δp 5 Δp 6 ] S 31 = 1/ 6 [2Δb 1 Δb 2 Δb 3 ] S 32 = 1/6 [2Δg 1 Δg 2 Δg 3 ] S 33 = 1/ 2 [Δc 1 Δc 2 ] S 34 = 1/ 2 [Δe 1 Δe 2 ] S 35 = 1/ 2 [Δr 1 Δr 2 ] S 36 = 1/ 12 [2Δα 1 Δα 2 Δα 3 + 2Δα 4 Δα 5 Δα 6 ] S 37 = 1/ 12 [2Δβ 1 Δβ 2 Δβ 3 + 2Δβ 4 Δβ 5 Δβ 6 ] S 38 = 1/ 6 [Δτ 1 Δτ 2 Δτ 2 ] S 39 = 1/ 2 [Δσ 1 Δσ 2 ] S 40 = 1/ 2 [Δθ 1 Δθ 2 ] S 41 = 1/ 2 [Δη 1 - Δη 2 ] where Δ s represent changes in the corresponding bond distances and bond angles. 3.2 FTIR and FT Raman spectra and vibrational band assignment The infrared and Raman spectra contain a number of bands at specific wave numbers. The vibrational analysis indicate which of the vibrational modes represent these observed bands. The assignments for the fundamental modes of vibrations have been made on basis of the position shape, intensity and vibrational frequencies of similar compounds like derivatives of benzene, pyridine and pyrimidine compounds 5,6. Aromatic CC stretching The ring carbon-carbon stretching vibrations 6,7 occur in the region cm -1. Mohan and Settu 7 have identified the IR bands at 1470, 1484, 1561 and 1575 cm -1 in diazepam and closely related compound of benzodiazepines due to aromatic CC stretching vibrations. Based on these factors, the FTIR bands at 1455 and 1469 cm -1 are assigned to aromatic CC symmetric stretching and bands at 1513 cm -1 and 1550 cm -1 are assigned to aromatic CC asymmetric stretching vibrations. The Raman bands for symmetric stretching observed at 1458 and 1460 cm -1 and the asymmetric stretching assigned in the region cm -1, C H stretching The heterocyclic aromatic compounds and its derivatives are structurally very close to benzene. The C-H stretching vibrations of aromatic and hetero aromatic structures 8-10 occur in the region cm -1. Neville and Shurvell 11 have identified the FTIR bands at 3023, 3056, and 3073 cm -1 in Fourier Transform Raman and infrared vibrational study of diazepam and four closely related derivatives of 1,4-benzodiazepine due to the C-H stretching vibrations. Hence, in the present investigation, the bands observed at 3025 and 3085 cm -1 in the FTIR spectra and the bands found at 3029 and 3085 cm -1 in the FT Raman spectra are due to C-H symmetric and asymmetric stretching vibrations, C N and C=N stretching The ring C=N stretching vibrations 12,13 occur in the region cm -1 and cm -1. The medium to weak absorption bands for the C-N linkages in amines appear in the region cm -1. Mohan et al 14. have identified the stretching frequency of C=N bond in benzimidazole at 1617 cm -1. Gunasekaran et al 15. have observed the C-N stretching band at 1312cm -1 in benzocaine. Referring to the above assignments, the FTIR bands at 1341 and 1359 cm -1 are attributed to C-N symmetric and asymmetric stretching vibrations, In Raman spectra, the bands observed at 1338 cm -1 are due to C-N symmetric stretching vibrations, Also the bands observed at 1315 cm -1 for IR and 1309 cm -1 for Raman could be attributed to C-N stretching vibrations and the bands present at 1607 cm -1 could be attributed to C=N stretching vibrations.
5 166 INDIAN J PURE & APPL PHYS, VOL 46, MARCH 2008 Table 2 Vibrational band Assignments, Potential Constants (10 2 N/m) and PED Values of nitrazepam Symmetry Frequency (cm -1 ) Assignment Force Constant PED % Coordinate FTIR FT Raman (10 2 N/m) A' species S (w) 1458 (m) Ring C C symmetric stretching S (s) 1338 (s) C N symmetric stretching S (m) 3029 (w) C H symmetric stretching S (m) 1460 (w) C C symmetric stretching S (s) 2976 (s) C H symmetric stretching S (w) 1475 (w) N O symmetric stretching S (s) 1309 (w) C N stretching S (s) 3363 (w) N H stretching S (w) 1689 (w) C = O stretching S (w) 1610 (w) C = N stretching S (s) 1255 (m) C C (X) stretching S (w) 541 (w) C C = C symmetric bending S (w) 1095 (w) C C H symmetric bending S (w) 949 (w) C C N symmetric bending S (w) 908 (w) C C N symmetric bending S (w) 1570 (w) C N H symmetric bending S 17 S (w) 620(w) 693 (w) 620(w) C N O symmetric bending O - N O bending S (s) C C N bending S (vs) 814 (s) C N C bending S (w) 752 (w) N C = O bending S (s) 677 (w) C C = O bending S (w) 950 (w) C C - H bending S (w) 1388 (s) H C - H bending S (w) 1408 (s) N C H bending S (w) C N C bending S (w) 510 (w) C C = N bending S (m) 520 (m) C C = N bending S (w) 665 (w) C C C bending A" species S (w) 1520 (w) Ring C C asymmetric stretching S (m) C N asymmetric stretching S (s) 3085 (w) C H asymmetric stretching S (w) 1560 (s) C C asymmetric stretching S (w) 2999 (ms) C H asymmetric stretching S (w) 1528 (w) N O asymmetric stretching (w) 580 (w) C C - C asymmetric bending S 36 S (w) 1210 (w) C C - H asymmetric bending S (m) 1004 (w) C C - N asymmetric bending S (m) C C N asymmetric bending (w) C N H asymmetric bending S (s) C N O asymmetric bending S 40 vs: very strong; s: strong; m: medium; ms: medium strong; w: weak
6 GUNASEKARAN et al.: VIBRATIONAL SPECTRA AND NORMAL COORDINATE ANALYSIS 167 C=O stretching The band due to C=O stretching vibration is observed in the region cm -1 due to tautomerism, pyrimidines substituted with hydroxyl groups are generally in the keto form and therefore, have a strong band due to carbonyl group 16,17. In the present work, the bands observed at 1682 cm -1 in FTIR spectrum and 1689 cm -1 in Raman are assigned to C=O stretching mode of vibrations, C C H bending The C H deformation 18,19 frequencies in benzene and its derivatives are found to occur in the region cm -1. In the present work, the bands observed at 1090 cm -1 and 1210 cm -1 in FTIR spectrum are assigned to C-C-H symmetric and asymmetric bending and the bands observed at 1095 and 1210 cm -1 in FT Raman spectrum are assigned to C-C-H symmetric and asymmetric bending, Also the bands observed at 953 cm -1 for IR and 950cm -1 for Raman are assigned to C-C-H bending vibrations, C C C bending The C C C bending bands always occur below 600 cm -1. Isopropyl benzenes 23 have a medium intensity of band in the region cm -1. In the present work, the band observed at 540 cm -1 and 578 cm -1 are assigned to C C C symmetric and asymmetric bending in FTIR spectra, respectively and the bands at 541 and 580 cm -1 are assigned to C C C symmetric and asymmetric bending in FT Raman spectra, 4 Results and Discussion A normal coordinate analysis of nitrazepam has been carried out using the observed wave numbers from FTIR and FT Raman spectra. The evaluation of force constants is made on the basis of general valence force field by applying Wilson s FG matrix method 14. The potential energy associated with the normal coordinates of the molecule has been calculated using the relation PED = F 2 ij L ij /λ j. The calculated force constants and the % potential energy distribution are presented in Table 2. The initial set of force constants for the nitrazepam has been taken from related molecules 15. This set of force constants was subsequently refined by keeping a few interaction constants fixed through out the refinement process using successive approximation technique. The force constant of C C stretching vibration of the compound is found to be around x 10 2 N/m as expected and they contribute PED value of more than 96%. The symmetric and asymmetric C H stretching vibrations of the molecule exhibit a force constant around x10 2 N/m and x 10 2 N/m, respectively, contributing to the PED value of more than 90 %. Similarly, the force constant of C N symmetric stretching vibration of the compound is found to be around x 10 2 N/m and it contributes PED value of more than 96 %. A PED value of around 93 % has been calculated for C=O stretching vibrations whose frequency is assigned around 1682 cm -1. In addition to the stretching force constants, the force constants for bending vibrations have also been calculated and are in good agreement with the literature values 16 5 Conclusion Thus, a complete vibrational band assignment of nitrazepam has been carried out using infrared and Raman spectra on the basis of C s point group symmetry. A symmetric set of potential constants has been computed and it is found to be in good agreement with literature. The PED calculation with respect to normal modes of vibration, provides a strong support for the frequency assignment on the highly complex molecule. References 1 Tripathi K D, Medical Pharmacology, Jaypee (Brothers Medical Publishers, New Delhi), Indian Pharmacopoeia, Controller of Publication, Civil Lines, Delhi, Vol I & II (1996). 3 Gunasekaran S, Ponnambalam U, Muthu S & An Gand, Indian J Phys, 12 (2003) Acheson R M, An Introduction of Chemistry of Heterocyclic Compounds, 3 rd Ed (John Wiley, New York), Colthup N B, Daly L H & Wiberly S E, Introduction to infrared & Raman spectroscopy, 2 nd Ed (Academic Press, New York), Socrates G, Infrared characteristic Group frequencies, 1 st Ed, John Wiley, (1980). 7 Mohan S & Settu K, Indian J Pure & Appl Phys, 35 (1997) 1. 8 Puviarasan N, Arjunan V & Mohan S, Turk J Chem, 26 (2002) Chithambarathanu T, Umayourbaghan V & Krishnakumar V, Indian J Pure & Appl Phys, 41 (2003) Gunasekaran S, Natarajan R K & Santhosam K, Asian J Chem, 15 (2003) Neville G A & Shervell H F, J Raman Spectrosc, 21 (1990) Pouchert C J, Aldrich Library of Infrared Spectra, Aldrich Chemical, Milwakee, Wisconsin, USA (1975).
7 168 INDIAN J PURE & APPL PHYS, VOL 46, MARCH Gunasekaran S, Natarajan R K, Rathika R & Syamala D, Indian J Phys, 79 (5), (2005) Mohan S, Sundaraganesan N & Mink, J Spectrochim Acta, 47A (1991) Gunasekaran S & Abraham Leela, Indian J Phys 78 (b), (2004) Gunasekaran S, Kumaresan P, Manoharan K & Mohan S, Asian J Chem, 6 (1994) Gunasekaran S, Ponnambalam U & Muthu S Acta Ciencia Indica, Vol XXX, pp 1015 (2004). 18 Wilson E B, Decius D C & Cross P C, Molecular vibrations, (McGraw-Hill, New York), Gunasekaran S & Rajkumar R, Indian J Pure & Appl Phys, (2003). 20 Gunasekaran S & Hemamalini R, Indian J Phys, 77B, 319 (2003). 21 Rao P Venkataramana & Rao G Ramana, Spectrochim Acta, Part A, 58:14, (2002) Gunasekaran S, Ponnambalam U, Muthu S & Mariappan L, Asian J Phys, 12 (2003) Gunasekaran S & Mohan M, Acta Ciencia Indica, 15 (1990) Gunasekaran S, Sankari G & Ponnusamy S, Spectrochimica Acta, Part A, 61, (2005) Gunasekaran S & Desai Usha, Asian J Phys, 9, (2000) 382.
Vibrational spectra and molecular structural investigation of quiniodochlor
Indian Journal of Pure & Applied Physics Vol. 42, March 2004, pp 162-166 Vibrational spectra and molecular structural investigation of quiniodochlor S Gunasekaran, U Ponnambalam *, S Muthu * & G Anand
More informationVibrational spectra and normal coordinate analysis on an organic non-linear optical crystal-3-methoxy-4-hydroxy benzaldehyde
Indian Journal of Pure & Applied Physics Vol. 43, November 2005, pp. 838-843 Vibrational spectra and normal coordinate analysis on an organic non-linear optical crystal-3-methoxy-4-hydroxy benzaldehyde
More informationVibrational Spectra and Normal coordinate Calculations of 5, 6 Diamino 1H Pyrimidine 2, 4 Dione
Forfaiting as a source of Finance for Global Trade Vibrational Spectra and Normal coordinate Calculations of 5, 6 Diamino 1 Pyrimidine 2, 4 Dione R.Gayathri Assistant Professor, Department of Physics,
More informationFTIR, FT-Raman spectral analysis and normal coordinate calculations of 2-hydroxy-3-methoxybenzaldehyde thiosemicarbozone
Indian Journal of Pure & Applied Physics Vol. 42, May 2004, pp 313-318 FTIR, FT-Raman spectral analysis and normal coordinate calculations of 2-hydroxy-3-methoxybenzaldehyde thiosemicarbozone V Krishnakumar
More informationInternational Journal of Materials Science ISSN Volume 12, Number 2 (2017) Research India Publications
HF, DFT Computations and Spectroscopic study of Vibrational frequency, HOMO-LUMO Analysis and Thermodynamic Properties of Alpha Bromo Gamma Butyrolactone K. Rajalakshmi 1 and A.Susila 2 1 Department of
More informationFT-IR, FT-Raman And UV Spectra and Ab-Initio HF and DFT Vibrational Study of 1-Propyl 4-Piperidone
FT-IR, FT-Raman And UV Spectra and Ab-Initio HF and DFT Vibrational Study of 1-Propyl 4-Piperidone K. Rajalakshmi 1 and E.Elumalai 2 1 Department of Physics, Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya,
More informationStudy of vibrational spectra of 4-methyl-3-nitrobenzaldehyde
Indian Journal of Pure & Applied Physics Vol. 44, September 2006, pp. 644-648 Study of vibrational spectra of 4-methyl-3-nitrobenzaldehyde B S Yadav, S K Tyagi* & Seema** Molecular Spectroscopy and Biophysics
More informationCHAPTER-IV. FT-IR and FT-Raman investigation on m-xylol using ab-initio HF and DFT calculations
4.1. Introduction CHAPTER-IV FT-IR and FT-Raman investigation on m-xylol using ab-initio HF and DFT calculations m-xylol is a material for thermally stable aramid fibers or alkyd resins [1]. In recent
More informationRaman and infrared spectra of tere-phthalaldehyde
Pram[qa, Vol. 18, No. 4, April 1982, pp. 311-315. ~) Printed in India. Raman and infrared spectra of tere-phthalaldehyde R A YADAV, RAMAKANT, P C MISHRA and I S SINGH Spectroscopy Laboratory, Department
More informationFTIR, FT-Raman and DFT Calculations of 5-nitro-1,3-Benzodioxole
Est. 984 ORIENTAL JOURNAL OF CHEMISTRY An International Open Free Access, Peer Reviewed Research Journal www.orientjchem.org ISSN: 0970-020 X CODEN: OJCHEG 202, Vol. 28, No. (2): Pg. 037-04 FTIR, FT-Raman
More informationAb-initio Hartee-Fock and Density functional theory calculations of 2-Chloro-6-methoxy-3-nitropyridine
Available online at www.scholarsresearchlibrary.com Scholars Research Library Archives of Applied Science Research, 211, 3 (2):334-344 (http://scholarsresearchlibrary.com/archive.html) ISSN 975-58X CODEN
More informationHF, DFT Computations and Spectroscopic Study of the Vibrational and Thermodynamic Properties of Metformin
International Journal of PharmTech Research CODEN (USA): IJPRIF ISSN : 09744304 Vol.3, No.3pp 13501358, JulySept 2011 HF, DFT Computations and Spectroscopic Study of the Vibrational and Thermodynamic Properties
More informationChapter 2. FTZR and FT Raman Spectra, Vibrational Assignment and Analysis of l,2-cyclohexanedion
Chapter 2 FTZR and FT Raman Spectra, Vibrational Assignment and Analysis of l,2-cyclohexanedion CHAPTER - 2 INTRODUCTION Cyclohexane is a cycloalkane which was Baeyer in 1893 and discovered in caucasian
More informationAB INITIO MODELING OF THE STRUCTURAL DEFECTS IN AMIDES
Int. J. Chem. Sci.: 9(4), 2011, 1564-1568 ISSN 0972-768X www.sadgurupublications.com AB INITIO MODELING OF THE STRUCTURAL DEFECTS IN AMIDES M. FATHIMA BEGUM, HEMA TRESA VARGHESE a, Y. SHEENA MARY a, C.
More informationIR, Raman, First Hyperpolarizability and Computational Study of 1-chloroethyl Benzene
Material Science Research India Vol. 9(1), 117-121 (2012) IR, Raman, First Hyperpolarizability and Computational Study of 1-chloroethyl Benzene HEMA TRESA VARGHESE¹, C.YOHANNAN PANICKER²* and SHEENA MARY
More informationRadiant energy is proportional to its frequency (cycles/s = Hz) as a wave (Amplitude is its height) Different types are classified by frequency or
CHEM 241 UNIT 5: PART B INFRA-RED RED SPECTROSCOPY 1 Spectroscopy of the Electromagnetic Spectrum Radiant energy is proportional to its frequency (cycles/s = Hz) as a wave (Amplitude is its height) Different
More informationNITRATE. HOWRAH (West Bengal) INDIA e Thushara, Neethinagar-64, Pattathanam, KOLLAM (Kerala) INDIA ABSTRACT
Int. J. Chem. Sci.: 8(1), 2010, 176-182 SPECTROSCOIC INVESTIGATIONS OF ANILINIUM NITRATE C. YOHANNAN PANICKER *, HEMA TRESA VARGHESE a, P. E. EAPEN b, K. RAJU c, SUBARNA GANGULI d, FATHIMA BEEGUM and Y.
More informationDegrees of Freedom and Vibrational Modes
Degrees of Freedom and Vibrational Modes 1. Every atom in a molecule can move in three possible directions relative to a Cartesian coordinate, so for a molecule of n atoms there are 3n degrees of freedom.
More informationCHAPTER INTRODUCTION
CHAPTER 3 A SCALED QUANTUM MECHANICAL APPROACH OF VIBRATIONAL ANALYSIS OF O-TOLUNITRILE BASED ON FTIR AND FT RAMAN SPECTRA, AB INITIO, HARTREE FOCK AND DFT METHODS 3.1. INTRODUCTION o-tolunitrile or ortho
More informationSTRUCTURAL DEFECTS IN IMIDATES : AN AB INITIO STUDY
Int. J. Chem. Sci.: 9(4), 2011, 1763-1767 ISSN 0972-768X www.sadgurupublications.com STRUCTURAL DEFECTS IN IMIDATES : AN AB INITIO STUDY M. FATHIMA BEGUM, HEMA TRESA VARGHESE a, Y. SHEENA MARY a, C. YOHANNAN
More informationFourier Transform IR Spectroscopy
Fourier Transform IR Spectroscopy Absorption peaks in an infrared absorption spectrum arise from molecular vibrations Absorbed energy causes molecular motions which create a net change in the dipole moment.
More informationAB INITIO CALCULATIONS AND VIBRATIONAL SPECTROSCOPIC STUDIES OF 2-CHLORO-6- METHOXYPYRIDINE
AB INITIO CALCULATIONS AND VIBRATIONAL SPECTROSCOPIC STUDIES OF 2-CHLORO-6- METHOXYPYRIDINE L.Usha Kumari a, M.Fathima Beegum a, B.Harikumar b, Hema Tresa Varghese c, C.Yohannan Panicker a* a Department
More informationInfra Red Spectroscopy
CH 2252 Instrumental Methods of Analysis Unit I Infra Red Spectroscopy M. Subramanian Assistant Professor Department of Chemical Engineering Sri Sivasubramaniya Nadar College of Engineering Kalavakkam
More informationVibrational Spectroscopy
Vibrational Spectroscopy In this part of the course we will look at the kind of spectroscopy which uses light to excite the motion of atoms. The forces required to move atoms are smaller than those required
More informationUSING THE OCEAN OPTICS R-2000 RAMAN SPECTROMETER IN THE UNDERGRADUATE LABORATORY
Proceedings of the South Dakota Academy of Science, Vol. 79 (2000) 63 USING THE OCEAN OPTICS R-2000 RAMAN SPECTROMETER IN THE UNDERGRADUATE LABORATORY Deanna L. Donohoue, Gary W. Earl and Arlen Viste Department
More informationIntroduction. The analysis of the outcome of a reaction requires that we know the full structure of the products as well as the reactants
Introduction The analysis of the outcome of a reaction requires that we know the full structure of the products as well as the reactants Spectroscopy and the Electromagnetic Spectrum Unlike mass spectrometry,
More informationInfrared Spectroscopy
Infrared Spectroscopy IR Spectroscopy Used to identify organic compounds IR spectroscopy provides a 100% identification if the spectrum is matched. If not, IR at least provides information about the types
More informationAdvanced Pharmaceutical Analysis
Lecture 2 Advanced Pharmaceutical Analysis IR spectroscopy Dr. Baraa Ramzi Infrared Spectroscopy It is a powerful tool for identifying pure organic and inorganic compounds. Every molecular compound has
More informationVibrational Spectra (IR and Raman) update Tinoco has very little, p.576, Engel Ch. 18, House Ch. 6
Vibrational Spectra (IR and Raman)- 2010 update Tinoco has very little, p.576, Engel Ch. 18, House Ch. 6 Born-Oppenheimer approx. separate electron-nuclear Assume elect-nuclear motion separate, full wave
More informationFT-IR and FT-Raman spectral studies and DFT calculations of tautomeric forms of benzaldehyde-n(4)-phenylsemicarbazone
Indian Journal of Chemistry Vol. 50A, June 2011, pp. 793-797 FT-I and FT-aman spectral studies and DFT calculations of tautomeric forms of benzaldehyde-(4)-phenylsemicarbazone V L Siji a, M Sudarsanakumar
More informationChemistry 431. NC State University. Lecture 17. Vibrational Spectroscopy
Chemistry 43 Lecture 7 Vibrational Spectroscopy NC State University The Dipole Moment Expansion The permanent dipole moment of a molecule oscillates about an equilibrium value as the molecule vibrates.
More informationTypes of Molecular Vibrations
Important concepts in IR spectroscopy Vibrations that result in change of dipole moment give rise to IR absorptions. The oscillating electric field of the radiation couples with the molecular vibration
More informationFrequencies and Normal Modes of Vibration of Benz[a]anthracene Radical Ions
Frequencies and Normal Modes of Vibration of Benz[a]anthracene Radical Ions Rehab M. Kubba, Raghida I. Al-ani, and Muthana Shanshal Department of Chemistry, College of Science, University of Baghdad, Jadiriya,
More informationInfrared Spectroscopy
Infrared Spectroscopy Introduction Spectroscopy is an analytical technique which helps determine structure. It destroys little or no sample. The amount of light absorbed by the sample is measured as wavelength
More informationInfrared spectroscopy. Siriphorn Laomanacharoen Bureau of Drug and Narcotic Department of Medical Sciences 2 March 2012
Siriphorn Laomanacharoen Bureau of Drug and Narcotic Department of Medical Sciences 2 March 2012 1 Infrared region 2 Infrared region below red in the visible region at wavelengths between 2.5-25 µm more
More informationFT-Raman Spectroscopy of Heavy Metal-Nucleotide Complexes
Asian Journal of Chemistry Vol. 21, No. 6 (2009), 4241-4245 FT-Raman Spectroscopy of Heavy Metal-Nucleotide Complexes N. IYANDURAI, K. SENTHIL* and R. SAROJINI Department of Physics, Kongunadu Arts and
More informationInfrared Spectroscopy: Identification of Unknown Substances
Infrared Spectroscopy: Identification of Unknown Substances Suppose a white powder is one of the four following molecules. How can they be differentiated? H N N H H H H Na H H H H H A technique that is
More information6. CHARACTERIZATION OF AS (III) IONS BIOSORPTION BY THE LIVE, HEAT AND ALKALINE- TREATED FUNGAL BIOMASS ON THE BASICS OF SURFACE STUDIES
6. CHARACTERIZATION OF AS (III) IONS BIOSORPTION BY THE LIVE, HEAT AND ALKALINE- TREATED FUNGAL BIOMASS ON THE BASICS OF SURFACE STUDIES 6. Introduction Infrared spectroscopy is a technique used to identify
More informationMolecular interaction studies of acrylic esters with alcohols
Indian Journal of Pure & Applied Physics Vol. 43, December 2005, pp. 905-90 Molecular interaction studies of acrylic esters with alcohols P Sivagurunathan*, K Dharmalingam & K Ramachandran Department of
More informationCourse Syllabus. Department: Science & Technology. Date: April I. Course Prefix and Number: CHM 212. Course Name: Organic Chemistry II
Department: Science & Technology Date: April 2012 I. Course Prefix and Number: CHM 212 Course Name: Organic Chemistry II Course Syllabus Credit Hours and Contact Hours: 5 credit hours and 7 (3:3:1) contact
More informationResearch & Development Centre, Bharathiar University, Coimbatore , India. 2
EXPERIMENTAL FT-IR, FT-RAMAN AND THEORETICAL QUANTUM CHEMICAL COMPUTATIONS ON THE MOLECULAR STRUCTURE P-BROMOBENZOTRIFLUORIDE V. Anbu 1, K.A. Vijayalakshmi *, T. Karthick 3, Poonam Tandon 4 1 Research
More informationTHE VIBRATIONAL SPECTRA OF A POLYATOMIC MOLECULE (Revised 3/27/2006)
THE VIBRATIONAL SPECTRA OF A POLYATOMIC MOLECULE (Revised 3/27/2006) 1) INTRODUCTION The vibrational motion of a molecule is quantized and the resulting energy level spacings give rise to transitions in
More informationB F N O. Chemistry 6330 Problem Set 4 Answers. (1) (a) BF 4. tetrahedral (T d )
hemistry 6330 Problem Set 4 Answers (1) (a) B 4 - tetrahedral (T d ) B T d E 8 3 3 2 6S 4 6s d G xyz 3 0-1 -1 1 G unmoved atoms 5 2 1 1 3 G total 15 0-1 -1 3 If we reduce G total we find that: G total
More informationC h a p t e r F o u r t e e n: Structure Determination: Mass Spectrometry and Infrared Spectroscopy
C h a p t e r F o u r t e e n: Structure Determination: Mass Spectrometry and Infrared Spectroscopy Cl OH Cl An electron ionization mass spectrum of 2,5-dichlorophenol CHM 323: Summary of Important Concepts
More informationSpectroscopy: Tinoco Chapter 10 (but vibration, Ch.9)
Spectroscopy: Tinoco Chapter 10 (but vibration, Ch.9) XIV 67 Vibrational Spectroscopy (Typical for IR and Raman) Born-Oppenheimer separate electron-nuclear motion ψ (rr) = χ υ (R) φ el (r,r) -- product
More informationCHAPTER 2 FOURIER TRANSFORM INFRARED STUDIES
13 CHAPTER 2 FOURIER TRANSFORM INFRARED STUDIES 2.1 INTRODUCTION The infrared spectroscopy (IR) is one of the powerful tools for identification and characterization of organic, inorganic, polymeric, crystalline
More informationSPECIFICITY OF DECOMPOSITION OF SOLIDS IN NON-ISOTHERMAL CONDITIONS
Journal of Thermal Analysis and Calorimetry, Vol. 72 (2003) 597 604 SPECIFICITY OF DECOMPOSITION OF SOLIDS IN NON-ISOTHERMAL CONDITIONS T. Vlase *, G. Vlase, M. Doca and N. Doca West University of Timiºoara,
More informationDiffusion of propylene adsorbed in Na-Y and Na-ZSM5 zeolites: Neutron scattering and FTIR studies
PRAMANA c Indian Academy of Sciences Vol. 71, No. 5 journal of November 2008 physics pp. 1153 1157 Diffusion of propylene adsorbed in Na-Y and Na-ZSM5 zeolites: Neutron scattering and FTIR studies S GAUTAM
More informationMaterial characterization at low frequencies using THz and Raman spectroscopy
University of Wollongong Research nline Australian Institute for Innovative Materials - Papers Australian Institute for Innovative Materials 2012 Material characterization at low frequencies using THz
More informationInfrared Spectroscopic Study of the Interactions of Nylon-6 with Water
Infrared Spectroscopic Study of the Interactions of Nylon-6 with Water REIKICHI IWAMOTO, 1 HIROSHI MURASE 2 1 Kansai Research Institute, Chudoji Minamimachi 134, Shimogyoku, Kyoto 600-8813, Japan 2 Toyobo
More information16.1 Molecular Vibrations
16.1 Molecular Vibrations molecular degrees of freedom are used to predict the number of vibrational modes vibrations occur as coordinated movement among many nuclei the harmonic oscillator approximation
More informationOrganic Compound Identification Using Infrared Spectroscopy. Description
Return to paper Organic Compound Identification Using Infrared Spectroscopy Dr. Walt Volland, Bellevue Community College All rights reserved 1999, Bellevue, Washington Description This exercise is intended
More informationSYNTHESIS AND CHARACTERIZATION OF SOME TETRADENTATE SCHIFF BASE COMPLEXES
Int. J. Chem. Sci.: 6(4), 2008, 1991-1999 SYNTHESIS AND CHARACTERIZATION OF SOME TETRADENTATE SCHIFF BASE COMPLEXES VASISHTA D. BHATT, KETUL N. PATEL, NILESH H. PATEL a and JIGNESH P. RAVAL a Dept. of
More informationSynthesis, characterization and crystal structure of a new supramolecular system containing triorganotin(iv) and 1,3,5- Benzenetricarboxylic acid
Synthesis, characterization and crystal structure of a new supramolecular system containing triorganotin(iv) and 1,3,5- Benzenetricarboxylic acid Azadeh Tadjarodi*, Homayoun Gholipour Research Laboratory
More informationDetermining the Structure of an Organic Compound
Chapter 12- Structure Determination: Mass Spectrometry and Infrared Spectroscopy Ashley Piekarski, Ph.D. Determining the Structure of an Organic Compound The analysis of the outcome of a reac=on requires
More informationJournal of Chemical and Pharmaceutical Research, 2015, 7(2): Research Article
Available online www.jocpr.com Journal of Chemical and Pharmaceutical Research, 2015, 7(2):641-645 Research Article ISSN : 0975-7384 CODEN(USA) : JCPRC5 Synthesis, characterization and theoretical study
More informationLecture 11. IR Theory. Next Class: Lecture Problem 4 due Thin-Layer Chromatography
Lecture 11 IR Theory Next Class: Lecture Problem 4 due Thin-Layer Chromatography This Week In Lab: Ch 6: Procedures 2 & 3 Procedure 4 (outside of lab) Next Week in Lab: Ch 7: PreLab Due Quiz 4 Ch 5 Final
More informationSynthetic and 1 H and 13 C NMR Spectral Studies on N-(Mono-substitutedphenyl)-acetamides H 4. NH-CO- CH 3 i. ; X = Cl, CH 3
Synthetic and 1 H and 13 C NMR Spectral Studies on N-(Mono-substitutedphenyl)-acetamides and Substituted Acetamides, 2/3/4-YC 6 H 4 NH-CO- CH 3 i X i (Y=CH 3, F, Cl, Br, NO 2 ; X = Cl, CH 3 ; i =0,1,2,3)
More informationTHE VIBRATIONAL SPECTRUM OF A POLYATOMIC MOLECULE (Revised 4/7/2004)
INTRODUCTION THE VIBRATIONAL SPECTRUM OF A POLYATOMIC MOLECULE (Revised 4/7/2004) The vibrational motion of a molecule is quantized and the resulting energy level spacings give rise to transitions in the
More informationInternational Journal of Chemical Sciences
International Journal of Chemical Sciences Research Vol 15 Iss 2 Structural Study on Propylamide by FT-IR Spectrometry Using Chemometrics Applications Zeyede Aregahegn * Ethiopian Institute of Agricultural
More informationDiagnosis of Active Groups of Samples Taken (Aniline-Benzoic Acid -Acetic Anhydride and Comparing: The Results of the Laboratory)
; ISSN 1916-9698 E-ISSN 1916-9701 Published by Canadian Center of Science and Education Diagnosis of Active Groups of Samples Taken (Aniline-Benzoic Acid -Acetic Anhydride and Comparing: The Results of
More informationElectronic Supporting Information
Electronic Supporting Information Solid-State Coexistence of {Zr 12 } and {Zr 6 } Zirconium Oxocarboxylate Clusters Iurie L. Malaestean, Meliha Kutluca Alıcı, Claire Besson, Arkady Ellern and Paul Kögerler*
More informationVibrational Spectra (IR and Raman) update Tinoco has very little, p.576, Engel Ch. 18, House Ch. 6
Vibrational Spectra (IR and Raman)- 2010 update Tinoco has very little, p.576, Engel Ch. 18, House Ch. 6 XIV 67 Born-Oppenheimer approx. separate electron-nuclear Assume elect-nuclear motion separate,
More informationSpectroscopic Selection Rules
E 0 v = 0 v = 1 v = 2 v = 4 v = 3 For a vibrational fundamental (Δv = ±1), the transition will have nonzero intensity in either the infrared or Raman spectrum if the appropriate transition moment is nonzero.
More informationMolecular structure, vibrational spectroscopic studies and analysis of 2-fluoro-5-methylbenzonitrile
Indian Journal of Pure & Applied Physics Vol. 47, July 2009, pp. 481-490 Molecular structure, vibrational spectroscopic studies and analysis of 2-fluoro-5-methylbenzonitrile N Sundaraganesan a*, G Elango
More informationInfluence of Dilution with Methanol on Fermi's Resonance inccl 4 Vibrational Spectra
International Journal of ChemTech Research CODEN( USA): IJCRGG ISSN : 0974-4290 Vol.6, No.1, pp 521-526, Jan-March 2014 Influence of Dilution with Methanol on Fermi's Resonance inccl 4 Vibrational Spectra
More informationMolecular structure, vibrational spectroscopic studies and natural bond orbital analysis of 7-amino-4-trifluoromethyl coumarin
PRAMANA c Indian Academy of Sciences Vol. 74, No. 5 journal of May 2010 physics pp. 845 860 Molecular structure, vibrational spectroscopic studies and natural bond orbital analysis of 7-amino-4-trifluoromethyl
More informationCHEM 3.2 (AS91388) 3 credits. Demonstrate understanding of spectroscopic data in chemistry
CHEM 3.2 (AS91388) 3 credits Demonstrate understanding of spectroscopic data in chemistry Spectroscopic data is limited to mass, infrared (IR) and 13 C nuclear magnetic resonance (NMR) spectroscopy. Organic
More informationDENSITY FUNCTIONAL THEORY STUDIES ON IR SPECTRA OF THE TRIPHENYLENE DERIVATIVES. A SCALED QUANTUM MECHANICAL FORCE FIELD APPROACH
Vol. 98 (2000) ACTA PHYSICA POLONICA A No. 5 Proceedings of the International Conference "Condensed Matter Physics", Jaszowiec 2000 DENSITY FUNCTIONAL THEORY STUDIES ON IR SPECTRA OF THE TRIPHENYLENE DERIVATIVES.
More informationInternational Journal of Innovative Research in Science, Engineering and Technology. (An ISO 3297: 2007 Certified Organization)
ISSN(Online) 2319-8753 ISSN (Print) 2347-6710 (An ISO 3297 2007 Certified Organization) Website www.ijirset.com X-Ray Crystallographic Investigation and Crystal Structure of 6-(2-Hydroxy-4,6- dimethyl-phenyl)-4-(2-methoxy-phenyl)5-
More informationFT-IR, FT-Raman and Computational Study of p-acetylbenzonitrile
Est. 1984 ORIENTAL JOURNAL OF CHEMISTRY An International Open Free Access, Peer Reviewed Research Journal www.orientjchem.org ISSN: 0970-020 X CODEN: OJCHEG 2013, Vol. 29, No. (1): Pg. 291-296 FT-IR, FT-Raman
More informationPaper 12: Organic Spectroscopy
Subject hemistry Paper No and Title Module No and Title Module Tag Paper 12: Organic Spectroscopy 34: ombined problem on UV, IR, 1 H NMR, 13 NMR and Mass- Part 6 HE_P12_M34 TABLE OF ONTENTS 1. Learning
More information/2Mα 2 α + V n (R)] χ (R) = E υ χ υ (R)
Spectroscopy: Engel Chapter 18 XIV 67 Vibrational Spectroscopy (Typically IR and Raman) Born-Oppenheimer approx. separate electron-nuclear Assume elect-nuclear motion separate, full wave fct. ψ (r,r) =
More informationDegrees of Freedom and Vibrational Modes
Degrees of Freedom and Vibrational Modes 1. Every atom in a molecule can move in three possible directions relative to a Cartesian coordinate, so for a molecule of n atoms there are 3n degrees of freedom.
More informationChapter 12 Mass Spectrometry and Infrared Spectroscopy
Organic Chemistry, 6 th Edition L. G. Wade, Jr. Chapter 12 Mass Spectrometry and Infrared Spectroscopy Jo Blackburn Richland College, Dallas, TX Dallas County Community College District 2006, Prentice
More informationInfrared Spectroscopy. Provides information about the vibraions of functional groups in a molecule
Infrared Spectroscopy Provides information about the vibraions of functional groups in a molecule Therefore, the functional groups present in a molecule can be deduced from an IR spectrum Two important
More informationFT-IR, FT-Raman, NMR and FMO Analysis of 3-(2- Furyl) Propionic Acid By Quantum Chemical Calculations
FT-IR, FT-Raman, NMR and FMO Analysis of 3-(2- Furyl) Propionic Acid By Quantum Chemical Calculations G. Velraj, S. Ramachandran, and T. Kavitha* Department of Physics, Periyar University Salem-636 011,
More informationAnalysis of O H N and N O H intermolecular interaction involving nitro in substituted 5-nitro salicylaldehyde and aniline
Available online at www.scholarsresearchlibrary.com Archives of Applied Science Research, 2013, 5 (2):1-6 (http://scholarsresearchlibrary.com/archive.html) ISSN 0975-508X CODEN (USA) AASRC9 Analysis of
More informationFourier Transform Infrared Spectroscopy of Metal Ligand Complexes *
OpenStax-CNX module: m34660 1 Fourier Transform Infrared Spectroscopy of Metal Ligand Complexes * Jiebo Li Andrew R. Barron This work is produced by OpenStax-CNX and licensed under the Creative Commons
More informationJournal of Global Pharma Technology
Journal of Global Pharma Technology ISS: 0975-8542 Available nline at www.jgpt.co.in RESEARCH ARTICLE Synthesis, Characterization of Some ew Heterocyclic Derivatives Asstabraq Mohsin Yasir Department of
More informationFTIR absorption study of hydroxyl ions in KHo(WO 4 ) 2 single crystals
Cryst. Res. Technol. 40, No. 4/5, 444 448 (2005) / DOI 10.1002/crat.200410364 FTIR absorption study of hydroxyl ions in KHo(WO 4 ) 2 single crystals L. Kovács* 1, M.T. Borowiec 2, A. Majchrowski 3, A.
More informationCorrelation spectroscopy
1 TWO-DIMENSIONAL SPECTROSCOPY Correlation spectroscopy What is two-dimensional spectroscopy? This is a method that will describe the underlying correlations between two spectral features. Our examination
More informationCHEMISTRY 341. Final Exam Tuesday, December 16, Problem 1 15 pts Problem 9 8 pts. Problem 2 5 pts Problem pts
CEMISTRY 341 Final Exam Tuesday, December 16, 1997 Name NAID Problem 1 15 pts Problem 9 8 pts Problem 2 5 pts Problem 10 21 pts Problem 3 26 pts Problem 11 15 pts Problem 4 10 pts Problem 12 6 pts Problem
More informationSPECTROSCOPY MEASURES THE INTERACTION BETWEEN LIGHT AND MATTER
SPECTROSCOPY MEASURES THE INTERACTION BETWEEN LIGHT AND MATTER c = c: speed of light 3.00 x 10 8 m/s (lamda): wavelength (m) (nu): frequency (Hz) Increasing E (J) Increasing (Hz) E = h h - Planck s constant
More informationThe Unshifted Atom-A Simpler Method of Deriving Vibrational Modes of Molecular Symmetries
Est. 1984 ORIENTAL JOURNAL OF CHEMISTRY An International Open Free Access, Peer Reviewed Research Journal www.orientjchem.org ISSN: 0970-020 X CODEN: OJCHEG 2012, Vol. 28, No. (1): Pg. 189-202 The Unshifted
More informationCanadian Journal of Chemistry
Canadian Journal of Chemistry Published by THE NATIONAL RESEARCH COUNCIL OF CANADA VOLUME 47 JULY 15, 1969 NUMBER 14 Raman and far infrared spectra of strinitrobenzene and strinitrobenzened3 H. F. SHURVELL
More informationElectronic Supporting Information
Electronic Supporting Information A luminescent-water soluble inorganic co-crystal for a selective picomolar range Arsenic(III) sensor in water medium Biswajit Dey a, * Rajat Saha, b Priyanka Mukherjee
More informationQuímica Orgânica I. Ciências Farmacêuticas Bioquímica Química. IR spectroscopy AFB QO I 2007/08 1 AFB QO I 2007/08 2
Química Orgânica I Ciências Farmacêuticas Bioquímica Química AFB QO I 2007/08 1 IR spectroscopy AFB QO I 2007/08 2 1 Adaptado de: Organic Chemistry, 6th Edition; L. G. Wade, Jr. Organic Chemistry, William
More informationIdentification of terahertz fingerprint spectra extracted from Gas-Fat coal
Terahertz Science and Technology, ISSN 1941-7411 Vol.8, No.1, March 015 Identification of terahertz fingerprint spectra extracted from Gas-Fat coal Li Zhaoxin 1, *, and Li Dehua 1 Terahertz Science and
More informationFTIR, FT-Raman and Quantum Chemical calculations of 3,5-dichlorosalicylic acid
Ultra Scientist Vol. 24(2)B, 243-248 (2012). FTIR, FT-Raman and Quantum Chemical calculations of 3,5-dichlorosalicylic acid C. YOHANNAN PANICKER 1, HEMA TRESA VARGHESE 2, K. RAJU 3 and G. KRISHNAKUMAR
More informationVibrational Spectral Characterization of 2-(Methylamino) Pyridine by Hybrid Functional Theory Calculations
Human Journals Research Article September 2017 Vol.:7, Issue:3 All rights are reserved by S.P.Saravanan et al. Vibrational Spectral Characterization of 2-(Methylamino) Pyridine by Hybrid Functional Theory
More informationMore information can be found in Chapter 12 in your textbook for CHEM 3750/ 3770 and on pages in your laboratory manual.
CHEM 3780 rganic Chemistry II Infrared Spectroscopy and Mass Spectrometry Review More information can be found in Chapter 12 in your textbook for CHEM 3750/ 3770 and on pages 13-28 in your laboratory manual.
More informationQualitative analysis of aramide polymers by FT-IR spectroscopy
International Journal of Engineering Science Invention ISSN (Online): 2319 6734, ISSN (Print): 2319 6726 Volume 3 Issue 2 ǁ February 2014 ǁ PP.01-07 Qualitative analysis of aramide polymers by FT-IR spectroscopy
More informationPortable Raman Spectroscopy for the Study of Polymorphs and Monitoring Polymorphic Transitions
Introduction Portable Raman Spectroscopy for the Study of Polymorphs and Monitoring Polymorphic Transitions Philip Zhou and Katherine A. Bakeev, B&W Tek, Inc., Newark, DE Materials can exist in different
More informationSymmetric Stretch: allows molecule to move through space
BACKGROUND INFORMATION Infrared Spectroscopy Before introducing the subject of IR spectroscopy, we must first review some aspects of the electromagnetic spectrum. The electromagnetic spectrum is composed
More informationWelcome to Organic Chemistry II
Welcome to Organic Chemistry II Erika Bryant, Ph.D. erika.bryant@hccs.edu Class Syllabus 3 CHAPTER 12: STRUCTURE DETERMINATION 4 What is this solution Soda Tea Coffee??? 5 What is this solution Soda Tea
More information12. Structure Determination: Mass Spectrometry and Infrared Spectroscopy
12. Structure Determination: Mass Spectrometry and Infrared Spectroscopy Determining the Structure of an Organic Compound The analysis of the outcome of a reaction requires that we know the full structure
More informationVibrational Spectroscopic Studies On Cis-1,4-Polychloroprene
International Journal of ChemTech Research CODEN( USA): IJCRGG ISSN : 0974-4290 Vol.2, No.3, pp 1780-1785, July-Sept 2010 Vibrational Spectroscopic Studies On Cis-1,4-Polychloroprene Kathiresan Sathasivam
More informationVisible and IR Absorption Spectroscopy. Andrew Rouff and Kyle Chau
Visible and IR Absorption Spectroscopy Andrew Rouff and Kyle Chau The Basics wavelength= (λ) original intensity= Ι o sample slab thickness= dl Final intensity= I f ε = molar extinction coefficient -di=
More informationSymmetry. Chemistry 481(01) Spring 2017 Instructor: Dr. Upali Siriwardane Office: CTH 311 Phone Office Hours:
Chemistry 481(01) Spring 2017 Instructor: Dr. Upali Siriwardane e-mail: upali@latech.edu Office: CT 311 Phone 257-4941 Office ours: M,W 8:00-9:00 & 11:00-12:00 am; Tu,Th, F 9:30-11:30 a.m. April 4, 2017:
More information