Solvent Isotopic Effects on a Surfactant Headgroup at the Air-Liquid Interface
|
|
- Rodger Ward
- 5 years ago
- Views:
Transcription
1 S1 SUPPORTING INFORMATION Solvent Isotopic Effects on a Surfactant Headgroup at the Air-Liquid Interface Uvinduni I. Premadasa, a Negar Moradighadi, b Kondalarao Kotturi, a Jeeranan Nonkumwong, a,c Md. Rubel Khan, a Marc Singer, b Eric Masson *, a and Katherine L. A. Cimatu *, a a Department of Chemistry and Biochemistry, Ohio University, 100 University Terrace, 136 Clippinger Laboratories, Athens, Ohio 45701, United States b Institute for Corrosion and Multiphase Technology, Ohio University's Research and Enterprise Park, 342 West State Street, Athens, Ohio 45701, United States c Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200, Thailand *Corresponding author s: cimatu@ohio.edu; masson@ohio.edu 1. Generalities Preparation of benzyldimethyloctylammonium bromide (Quat 1) 1, Sample Preparation and Experimental Details Fitting Equation SFG Fitting parameters for Quat 1 solutions (8.0 mm) Supporting SFG spectra CMC Measurements Orientation analysis References... 25
2 S2 1. Generalities Reagents and solvents were purchased from Acros Organics (Pittsburgh, PA), Fisher Scientific (Pittsburgh, PA), Sigma-Aldrich (St. Louis, MO), and Cambridge Isotope Laboratories, Inc. (Tewksbury, MA). Quat 1 was characterized by nuclear magnetic resonance spectroscopy (NMR) using a Bruker 500 MHz spectrometer (Billerica, MA). 2. Preparation of benzyldimethyloctylammonium bromide (Quat 1) 1, 2 N, N-dimethylbenzylamine (15 ml, 14 g, 0.10 mol) and acetonitrile (0.10 L) were heated to reflux. Bromooctane (17 ml, 19 g, 0.10 mol) was added slowly, and the reaction was kept at reflux for 24 h. The solvent was then removed by rotary evaporation. The obtained product was recrystallized using deionized water to afford the title compound as colorless crystals (21 g, 63%). 1 H NMR (CDCl 3 ): δ = 7.65 (Ph, m, 2H), 7.42 (Ph, m, 3H, J = 7.1 Hz), 5.09 (Ph-CH 2, s, 2H), 3.54 (NCH 2, t, 2H, J = 8.2 Hz), 3.29 (N-CH 3, s, 6H), 1.77 (CH 2, s, 2H), 1.29 (CH 2, d, 14H, J = 14 Hz), 0.84 (C-CH 3 ), t, 3H, J = 6.6 Hz). Figure S1. 1 H NMR spectrum of Quat 1.
3 S3 3. Experimental Details Sample preparation: The eicosanoic acid (EA; >99% purity) monolayer on water method was used for aligning the beams at the air-liquid interface as a reference sample. 0.5 mm, 8 mm, and 20 mm Quat 1 solutions were prepared in deionized H 2 O (purified by Milli-Q plus at 18 MΩ) or in D 2 O, and sonicated for 15 minutes. The samples were placed in a glass petri dish and allowed to equilibrate for 20 minutes under N 2 atmosphere. Spectroscopic analysis was carried out under positive N 2 pressure. Instrumentation: The femtosecond sum frequency generation spectroscopy was attained using Solstice laser (Spectra-Physics) generating 100 fs pulses at 795 nm. 50% of the 795 nm beam was then passed through an automated optical parametric amplification system and the difference frequency crystal to generate mid-infrared beam ranging from 4000 cm -1 to 1000 cm -1.The other half was sent towards a Fabry Pérot Etalon (SLS Optics) to produce a time-asymmetric picosecond visible pulse. The beams are focused to the sample stage with the IR beam aligned at an angle of 60 o and the visible (795 nm) beam at an angle of 50 o from the surface normal. When the incident IR beam is centered at 2900 cm -1, the broadband SFG beam is generated at an angle of 52 from the surface normal. The SFG signal is then collected with lenses, polarizer, spectrograph, and a detector. The energies of the incident beams on the sample stage are ~7µJ (IR) and ~25 µj (795 nm), respectively. SFG Experiment: All data were collected with three trials and a background. Acquisition time of each spectrum is 9 minutes (180 accumulations: 3 s acquisition time per accumulation). The spectra of Quat 1 in H 2 O were acquired at different IR centers positioned from 2800 cm -1 to 3700 cm -1. Quat 1 in D 2 O was characterized from 2400 cm -1 to 3000 cm -1 ; in a 1:1 mixture of H 2 O and D 2 O, Quat 1 was characterized from 2400 cm -1 to 3700 cm -1 every 100 cm -1.
4 S4 4. Fitting Equation SFG intensity is proportional to which consists of and, the resonant and nonresonant components, respectively. is a term related to hyperpolarizability, the product of the IR dipole moment and Raman polarizability tensor. + (1) N is the number density of vibrational transitions and is the damping constant of the q th vibrational mode. and are the resonance and the incident IR frequencies, respectively. is the phase of the non-resonant response. The non-resonant contribution is considered in the fitting equation, in order to account for any contribution from the bulk. The simplified version of the fitting equation is shown below. + + (2) Where, = + The contribution from the broadband width of the IR beam profile is considered by including the Gaussian function with the spectral width of centered at. 3, 4 The amplitude factors, and, are proportional to as shown in Equation 1. A CH and A OH and and are amplitude and frequency positions arising from CH and OH vibrational modes, respectively.
5 S5 5. SFG Fitting parameters for Quat 1 solutions (8.0 mm) Table S1. Fitting parameters for 8 mm Quat 1 in H 2 O. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
6 S6 Table S2. Fitting parameters for 8 mm Quat 1 in a 1:1 H 2 O/D 2 O mixture. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
7 S7 Table S3. Fitting parameters for 8 mm Quat 1 in D 2 O. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
8 S8 6. Supporting SFG spectra SFG Intensity (a.u.) SFG Intensity (a.u.) Wavenumber (cm -1 ) Wavenumber (cm -1 ) (a) (b) Figure S2. The SFG spectrum of 0.1 mm CTAB in H 2 O at (a) SSP and (b) PPP polarization combinations at 3000 cm -1.
9 S mm Quat 1 in H2O SFG Intensity (a.u.) SFG Intensity (a.u.) mm Quat 1 in H2O 0.5 mm Quat 1 in D2O 0.5 mm Quat 1 in D2O Wavenumber (cm-1) Wavenumber (cm-1) (a) (b) mm Quat 1 in H2O 20 mm Quat 1 in H2O SFG Intensity (a.u.) SFG Intensity (a.u.) mm Quat 1 in D2O 20 mm Quat 1 in D2O Wavenumber (cm ) (c) Wavenumber (cm-1) (d) Figure S3. SFG spectra of Quat 1; (a) 0.5 mm at SSP polarization combination, (b) 0.5 mm at PPP polarization combination, (c) 20 mm at SSP polarization combination, (d) 20 mm at PPP polarization combination in H2O (top panels) and in D2O (bottom panels). The red lines indicate the fitted spectra.
10 S % salt 0% salt SFG Intensity (a.u.) 0.10 SFG Intensity (a.u.) 1% salt % salt % salt % salt Wavenumber (cm-1) Wavenumber (cm-1) (a) (b) Figure S4. SFG spectra of 8 mm Quat 1 at different ionic strengths at (a) SSP polarization combination and (b) PPP polarization combination. The salt is sodium chloride (NaCl). OTAB in H2O 9 SFG Intensity (a.u.) OTAB in D2O Wavenumber (cm ) Figure S5. SFG spectrum of octyltrimethylammonium bromide in H2O (44 mm; top panel) and in D2O (bottom panel) at SSP polarization. The N-CH3 SS vibrational mode at ~2980 cm-1 and N-CH3 AS vibrational mode at ~3050 cm-1 are highlighted in green.
11 S11 SFG Intensity (a.u.) OTAB QUAT 1 SFG Intensity (a.u.) Wavenumber (cm -1 ) Wavenumber (cm -1 ) Figure S6. The comparison of SFG spectra of 8 mm QUAT 1 and 1 mm OTAB in H 2 O at SSP polarization combination. An inset is provided for the clearer view of the ~3050 cm -1 peak.
12 S Pure H2O Quat 1 in H2O 1000 Quat 1 in HOD Wavenumber (cm-1) (a) 1400 Pure D2O Quat 1 in D2O Quat 1 in HOD Wavenumber (cm-1) (b) Quat 1 in D2O Quat 1 in H2O 0.07 Quat 1 in HOD Wavenumber (cm-1) (c) Figure S7. (a) Comparison of SFG spectra of pure H2O (black), Quat 1 in H2O (red) and Quat 1 in a 1:1 mixture of H2O and D2O (blue). (b) Comparison of SFG spectra of pure D2O (green), Quat 1 in D2O (pink) and Quat 1 in a 1:1 mixture of H2O and D2O (blue). (c) Comparison of SFG spectra of Quat 1 D2O (pink), Quat 1 in H2O (red) and Quat 1 in a 1:1 mixture of H2O and D2O (blue) at SSP polarization combination.
13 S13 SFG Intensity (a.u.) % Salt 1 % Salt 0% Salt Wavenumber (cm -1 ) Figure S8. The comparison of SFG spectra of 8 mm Quat 1 at different ionic strengths at SSP polarization combination.
14 S14 7. CMC Measurements The surface tension of H 2 O and D 2 O solutions at 25 C were measured as a function of the concentrations of Quat 1 using the Du Noüy ring method. All measurements were performed using a Krüss- K20 tensiometer. Surface Tension (mn/m) Quat 1 in H 2 O Quat 1 in D 2 O Concentration (mm) Figure S9. Surface tension measurements of H 2 O and D 2 O in the presence of Quat 1.
15 S15 The CMC of Quat 1 in D 2 O was determined using isothermal titration calorimetry. Changes in heat were monitored upon consecutive additions of a Quat 1 solution in D 2 O (0.30 M) to pure D 2 O. The cell volume was 0.26 ml; aliquots (1.0 µl) were injected 38 times at 150-second intervals. Figure S10. Enthalpogram recorded upon addition of a 0.30 M solution of Quat 1 in D 2 O to pure D 2 O.
16 S16 8. Orientation analysis Table S4. Fitting parameters for 0.5 mm Quat 1 in H 2 O. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
17 S17 Table S5. Fitting parameters for 0.5 mm Quat 1 in D 2 O. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
18 S18 Table S6. Fitting parameters for 20 mm Quat 1 in H 2 O. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
19 S19 Table S7. Fitting parameters for 20 mm Quat 1 in D 2 O. Parameters Estimated Value Standard Error Error with 95% Confidence Level SSP PPP SSP PPP SSP PPP A A A A A A A Г Г Г Г Г Г Г ω ω ω ω ω ω ω n p n R
20 S20 Table S8. Parameter values for generating the simulated SFG curves used to obtain the orientation distribution for Quat 1. Parameters Refractive indices: n 1 (air), n 2 (liquid) and n 1,SFG = n 1,vis = n 1,IR = 1.0 n i (interface) n 2,SFG = n 2,vis = n 2,IR = n i,sfg = n i,vis = n i,ir = R-value 3.4(-CH 3 ),, 3.4,, =,, =,, 1.0 N s (number density) 1.0 (cm -1 ) (cm -1 ) 2900 (cm -1 ) ( ) 50 ( ) 60 ( ) 51.7, , , , , , , , , Example: (4.4 Cos[ ]+2.4 Cos[ ] 3 ),,
21 S21 Simulated SFG Intensity mm, 8 mm, and 20 mm Quat 1 in H 2 O 33.2 o 34.3 o 40.5 o Tilt Angle, θ (a) A BC Simulated SFG Amplitude Ratio 1 0.5mM, 8mM, and 20mM Quat 1 in H 2 O Distribution Angle,σ (c) θ=20 o θ=30 o θ=40 o θ=50 o A B C Simulated SFG Intensity mm, 8 mm, and 20 mm Quat 1 in H 2 O o 34.3 o 40.5 o Tilt Angle, θ (b) A BC Simulated SFG Amplitude Ratio Distribution Angle,σ (d) θ=20 o θ=30 o A B Simulated SFG Amplitude Ratio θ=30 o θ=40 o θ=50 o C Distribution Angle,σ (e) Figure S11. Simulated curves of the SFG intensity ratios (CH 3 SS of PPP/CH 3 AS PPP) as a function of tilt angle (a and b) and simulated curves of the SFG amplitude ratios (CH 3 SS of PPP/CH 3 AS PPP) as a function of distribution angle (c-e) are shown for 0.5 mm, 8 mm, and 20 mm Quat 1 in H 2 O (labeled as A, B, and C, respectively).
22 S22 Simulated SFG Intensity mm Quat 1 in 1:1 H 2 O and D 2 O 32.5 o Tilt Angle, θ (a) B Simulated SFG Amplitude Ratio 8mM Quat 1 in 1:1 H 2 O and D 2 O 1.0 θ=20 o B Distribution Angle,σ (c) θ=30 o θ=40 o θ=50 o Simulated SFG Intensity mm Quat 1 in 1:1 H 2 O and D 2 O 32.5 o Tilt Angle, θ (b) B Simulated SFG Amplitude Ratio mm Quat 1 in 1:1 H O and D O Distribution Angle,σ (d) θ=10 o θ=20 o θ=30 o θ=40 o B Figure S12. Simulated curves of the SFG Intensity ratios (CH 3 SS of PPP/CH 3 AS PPP) as a function of tilt angle (a, b), and simulated curves of the SFG amplitude ratios (CH 3 SS of PPP/CH 3 AS PPP) as a function of distribution angle (c, d) are shown for 8 mm Quat 1 in a 1:1 mixture of H 2 O and D 2 O (labeled as B).
23 S23 Simulated SFG Intensity mm, 8 mm, and 20 mm Quat 1 in D 2 O Tilt Angle, θ (a) 30.8 o 34.2 o 37.6 o A BC Simulated SFG Amplitude Ratio 0.5 mm, 8 mm, and 20 mm Quat 1 in D O θ=10 o Distribution Angle,σ (c) θ=20 o θ=30 o A B C Simulated SFG Intensity 0.5 mm, 8 mm, and 20 mm Quat 1 in D O o 34.2 o 37.6 o Tilt Angle, θ (b) A BC Simulated SFG Amplitude Ratio 0.5 mm, 8 mm, and 20 mm Quat 1 in D O Distribution Angle,σ (d) θ=10 o θ=20 o θ=30 o A B C Figure S13. Simulated curves of the SFG Intensity ratios (CH 3 SS of PPP/CH 3 AS PPP) as a function of tilt angle (a, b) and simulated curves of the SFG amplitude ratios simulated curves of the SFG amplitude ratios (CH 3 SS of PPP/CH 3 AS PPP) as a function of distribution angle (c, d) are shown for 0.5 mm, 8 mm, and 20 mm Quat 1 in D 2 O (labeled as A, B, and C, respectively).
24 S24 Table S9. Orientation analysis of the terminal methyl group of Quat 1 using the amplitude ratio between the methyl symmetric stretch (CH 3 SS) and the methyl asymmetric stretch (CH 3 AS) at PPP polarization combination. Sample Intensity Tilt angle Amplitude Distribution angle ratio ratio 0.5 mm H 2 O 0.3 ± º ± ± º ± 3.8 (Tilt angle 20º) 11.1º ± 2.1 (Tilt angle 30º) 0.5 mm D 2 O 0.1 ± º ± ± 37.7º ± 4.2 (Tilt angle 10º) 30.0º ± 3.4 (Tilt angle 20º) 20.5º ± 2.3 (Tilt angle 30º) 8 mm H 2 O 0.2 ± º ± ± º ± 2.3 (Tilt angle 20º) 13.2º ± 1.4 (Tilt angle 30º) 8 mm D 2 O 0.3 ± º ± ± º ± 8.4 (Tilt angle 10º) 21.6º ± 6.5 (Tilt angle 20º) 12.9º ± 3.9 (Tilt angle 30º) 8 mm 0.3 ± º ± ± º ± 5.1 (Tilt angle 10º) H 2 O/D 2 O 20 mm H 2 O 0.1 ± 40.5º ± ± 28.9º ± 3.6 (Tilt angle 30º) 62.3º ± 7.8 (Tilt angle 30º) 4.4º ± 0.6 (Tilt angle 40º) 66.9º ± 8.4 (Tilt angle 40º) 70.3º ± 8.8 (Tilt angle 50º) 20 mm D 2 O 0.4 ± º ± ± º ± 2.3 (Tilt angle 10º) 17.2º ± 1.7 (Tilt angle 20º) 5.6º ± 0.6 (Tilt angle 30º) *Experimental amplitude and intensity ratios do not match the simulated curves of SFG amplitude and intensity ratios.
25 S25 9. References 1. Sommer, H. Z.; Lipp, H. I.; Jackson, L. L., Alkylation of Amines. General Exhaustive Alkylation Method for the Synthesis of Quaternary Ammonium Compounds. The Journal of Organic Chemistry 1971, 36 (6), Gibson, M. S., The Introduction of the Amino Group. The Amino Group (1968) 1968, Chan, S. C.; Jang, J. H.; Cimatu, K. A., Orientational Analysis of Interfacial Molecular Groups of a 2-Methoxyethyl Methacrylate Monomer Using Femtosecond Sum Frequency Generation Spectroscopy. Journal of Physical Chemistry C 2016, 120 (51), Mukherjee, P.; Lagutchev, A.; Dlott, D. D., In Situ Probing of Solid-Electrolyte Interfaces with Nonlinear Coherent Vibrational Spectroscopy. Journal of Electrochemical Society 2012, 159 (3), A244-A252.
requency generation spectroscopy Rahul N
requency generation spectroscopy Rahul N 2-11-2013 Sum frequency generation spectroscopy Sum frequency generation spectroscopy (SFG) is a technique used to analyze surfaces and interfaces. SFG was first
More informationSUPPLEMENTARY INFORMATION
Hydrogen bonding at the water surface revealed by isotopic dilution spectroscopy Igor V. Stiopkin, 1,2 Champika Weeraman, 1,3 Piotr A. Pieniazek, 4 Fadel Y. Shalhout, 1,5 James L. Skinner, 4 and Alexander
More informationSupporting Information
Supporting Information Aggregated States of Chalcogenorhodamine Dyes on Nanocrystalline Titania Revealed by Doubly-Resonant Sum Frequency Spectroscopy Sanghamitra Sengupta, Leander Bromley III and Luis
More informationSupporting Information. Labeled Ligand Displacement: Extending NMR-based Screening of Protein Targets
Supporting Information Labeled Ligand Displacement: Extending NMR-based Screening of Protein Targets Steven L. Swann, Danying Song, Chaohong Sun, Philip J. Hajduk, and Andrew M. Petros Global Pharmaceutical
More informationDave S. Walker and Geraldine L. Richmond*
J. Phys. Chem. C 2007, 111, 8321-8330 8321 Understanding the Effects of Hydrogen Bonding at the Vapor-Water Interface: Vibrational Sum Frequency Spectroscopy of H 2 O/HOD/D 2 O Mixtures Studied Using Molecular
More informationEthylenediamine at Air/Liquid and Air/Silica Interfaces: Protonation. Versus Hydrogen Bonding Investigated by Sum Frequency Generation.
Supporting Information Ethylenediamine at Air/Liquid and Air/Silica Interfaces: Protonation Versus Hydrogen Bonding Investigated by Sum Frequency Generation Spectroscopy MAN XU, DINGFANG LIU, AND HEATHER
More informationApplication of IR Raman Spectroscopy
Application of IR Raman Spectroscopy 3 IR regions Structure and Functional Group Absorption IR Reflection IR Photoacoustic IR IR Emission Micro 10-1 Mid-IR Mid-IR absorption Samples Placed in cell (salt)
More informationInsights on Interfacial Structure, Dynamics and. Proton Transfer from Ultrafast Vibrational Sum. Frequency Generation Spectroscopy of the
Insights on Interfacial Structure, Dynamics and Proton Transfer from Ultrafast Vibrational Sum Frequency Generation Spectroscopy of the Alumina(0001)/Water Interface Aashish Tuladhar, Stefan M. Piontek,
More informationChiral Sum Frequency Generation for In Situ Probing Proton Exchange in Antiparallel β-sheets at Interfaces
Supporting Information for Chiral Sum Freuency Generation for In Situ Probing Proton Exchange in Antiparallel β-sheets at Interfaces Li Fu, Deuan Xiao, Zhuguang Wang, Victor S. Batista *, and Elsa C. Y.
More informationThe thermal reorganization of DNA immobilized at. the silica/buffer interface: a vibrational sum
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 015 [Supporting Information to accompany Manuscript] The thermal reorganization of DNA
More informationDiffuse reflection BBSFG optical layout
Diffuse reflection BBSFG optical layout Figure 1 shows the optical layout of the broad bandwidth sum frequency generation (BBSFG) system. A Nd:YVO 4 laser (a, Spectra-Physics MillenniaVs) pumps the Ti:Sapphire
More informationA long-lived iridium(iii) chemosensor for the real-time
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B. This journal is The Royal Society of Chemistry 2017 Supporting Information A long-lived iridium(iii) chemosensor for the real-time
More informationDesigning the Head Group of CO 2 -Triggered Switchable Surfactants
Supporting Information Designing the Head Group of CO 2 -Triggered Switchable Surfactants Lauren M. Scott, Tobias Robert, Jitendra R. Harjani and Philip G. Jessop* 1. Experimental section 1.1 Materials
More informationElectronic Supplementary Information. Ultrafast Charge Separation in Supramolecular Tetrapyrrole- Graphene Hybrids
Electronic Supplementary Information Ultrafast Charge Separation in Supramolecular Tetrapyrrole- Graphene Hybrids Chandra Bikram, K.C, a Sushanta Das, a Kei Ohkubo, b Shunichi Fukuzumi, b,c,* and Francis
More informationSupplementary information
Supplementary information doi: 10.1038/nchem.166 A tri-continuous mesoporous material with a silica pore wall following a hexagonal minimal surface YU HAN 1#, DALIANG ZHANG 2,3#, LENG LENG CHNG 1, JUNLIANG
More informationSelective Formation of Benzo[c]cinnoline by Photocatalytic Reduction of 2,2 Dinitrobiphenyl with TiO 2 and UV light irradiation
Electronic Supplementary Material (ESI) for Chemical Communications. This journal is The Royal Society of Chemistry 2015 Content: Selective Formation of Benzo[c]cinnoline by Photocatalytic Reduction of
More informationSupplementary Figure 1. Additional SFG data. Comparison of an SFS spectrum of water droplets in a hydrophobic liquid (black line, 1%v.
Supplementary Figure 1. Additional SFG data. Comparison of an SFS spectrum of water droplets in a hydrophobic liquid (black line, 1%v. D 2O in 5 mm Span80 in d 34-hexadecane) with SFG reflection spectra
More informationTechnical Note. Introduction
Technical Note Characterization of Eleven 2,5-Dimethoxy-N-(2-methoxybenzyl)- phenethylamine (NBOMe) Derivatives and Differentiation from their 3- and 4- Methoxybenzyl Analogues - Part II Patrick A. Hays*,
More informationMolecular Interactions between Graphene and Biological Molecules
Supporting Information: Molecular Interactions between Graphene and Biological Molecules Xinguan Zou, *,1 Shuai Wei, *,1 Joshua Jasensky, 1 Minyu Xiao, 1 Qiuming Wang, 1 Charles L. Brooks III **,1,2 and
More informationSupporting Information. for. Angew. Chem. Int. Ed. Z Wiley-VCH 2003
Supporting Information for Angew. Chem. Int. Ed. Z53001 Wiley-VCH 2003 69451 Weinheim, Germany 1 Ordered Self-Assembly and Electronic Behavior of C 60 -Anthrylphenylacetylene Hybrid ** Seok Ho Kang 1,
More informationAziridine in Polymers: A Strategy to Functionalize Polymers by Ring- Opening Reaction of Aziridine
Electronic Supplementary Material (ESI) for Polymer Chemistry. This journal is The Royal Society of Chemistry 2015 Electronic Supplementary Information (ESI) Aziridine in Polymers: A Strategy to Functionalize
More informationSupporting Information
Supporting Information Facile polyisobutylene functionalization via thiol-ene Click chemistry Andrew J. D. Magenau, Justin W. Chan, Charles E. Hoyle, and Robson F. Storey School of Polymers and High Performance
More informationUnusual ph-dependent Surface Adsorption and Aggregation Behavior of a series of Asymmetric Gemini Amino-acid Surfactants
Electronic Supplementary Material (ESI) for Soft Matter. This journal is The Royal Society of Chemistry 2015 Supplementary Information for: Unusual ph-dependent Surface Adsorption and Aggregation Behavior
More informationElectronic Supplementary Information (ESI) for
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) for Highly water- soluble three-
More informationSTRUCTURE AND BONDING OF MOLECULES
Annu. Rev. Phys. Chem. 2001. 52:357 89 Copyright c 2001 by Annual Reviews. All rights reserved STRUCTURE AND BONDING OF MOLECULES AT AQUEOUS SURFACES GL Richmond Department of Chemistry, University of
More informationSupporting Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 ROS-mediated Carbon Monoxide and Drug Release from Drug-conjugated Carboxyboranes Theppawut
More informationElectronic supporting information for
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2016 Electronic supporting information for The effects of an ionic liquid on
More informationWhat happens when light falls on a material? Transmission Reflection Absorption Luminescence. Elastic Scattering Inelastic Scattering
Raman Spectroscopy What happens when light falls on a material? Transmission Reflection Absorption Luminescence Elastic Scattering Inelastic Scattering Raman, Fluorescence and IR Scattering Absorption
More informationSupporting Information.
Supporting Information. Materials. Polyethyleneglycol monomethylether methacrylate (PEGMA) (~475 Da), trifluoroethyl acrylate (tfea) and ethyleneglycol dimethacrylate (EGDMA) were purchased from Sigma
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 informationAbstract... I. Acknowledgements... III. Table of Content... V. List of Tables... VIII. List of Figures... IX
Abstract... I Acknowledgements... III Table of Content... V List of Tables... VIII List of Figures... IX Chapter One IR-VUV Photoionization Spectroscopy 1.1 Introduction... 1 1.2 Vacuum-Ultraviolet-Ionization
More informationSUPPLEMENTARY INFORMATION
DOI: 10.1038/NCHEM.2633 Mechanically controlled radical polymerization initiated by ultrasound Hemakesh Mohapatra, Maya Kleiman, Aaron P. Esser-Kahn Contents 1. Materials and methods 2 2. Procedure for
More informationUltrafast Processes at Liquid Interfaces Investigated with Time-Resolved Sum Frequency Generation
10 Ultrafast Processes at Liquid Interfaces Investigated with Time-Resolved Sum Frequency Generation Yi Rao, Benjamin Doughty, Nicholas J. Turro, and Kenneth B. Eisenthal Q1 Contents 10.1 Introduction...305
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 informationInfrared spectroscopy Basic theory
Infrared spectroscopy Basic theory Dr. Davide Ferri Paul Scherrer Institut 056 310 27 81 davide.ferri@psi.ch Importance of IR spectroscopy in catalysis IR Raman NMR XAFS UV-Vis EPR 0 200 400 600 800 1000
More informationFunctional nickel complexes of N-heterocyclic carbene ligands in pre-organized and supported thin film materials
Supporting Information Functional nickel complexes of N-heterocyclic carbene ligands in pre-organized and supported thin film materials Xinjiao Wang, a Marek Sobota, b Florian T. U. Kohler, c Bruno Morain,
More informationImmobilization of Helicene onto Carbon Substrates Through Electropolymerization of [7]Helicenyl-thiophene
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 20 Immobilization of Helicene onto Carbon Substrates Through Electropolymerization of [7]Helicenyl-thiophene
More informationThermal and nonlinear optical studies of newly synthesized EDOT based bent-core and hockey-stick like liquid crystals
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018 Electronic supplementary information:
More information2017 Reaction of cinnamic acid chloride with ammonia to cinnamic acid amide
217 Reaction of cinnamic acid chloride with ammonia to cinnamic acid amide O O Cl NH 3 NH 2 C 9 H 7 ClO (166.6) (17.) C 9 H 9 NO (147.2) Classification Reaction types and substance classes reaction of
More informationSupporting Information. Synthesis, Structural and Photophysical Properties of. Pentacene Alkanethiolate Monolayer-Protected Gold
Supporting Information Synthesis, Structural and Photophysical Properties of Pentacene Alkanethiolate Monolayer-Protected Gold Nanoclusters and Nanorods: Supramolecular Intercalation and Photoinduced Electron
More informationLaser desorption/ionization on the layer of graphene nanoparticles coupled with mass spectrometry for characterization of polymer
Laser desorption/ionization on the layer of graphene nanoparticles coupled with mass spectrometry for characterization of polymer Minghua Lu, a Yongquan Lai, a Guonan Chen, b and Zongwei Cai* a a 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 informationSynthesis of Peptide-Grafted Comb Polypeptides via Polymerisation of NCA-Peptides
Supporting Information to Synthesis of Peptide-Grafted Comb Polypeptides via Polymerisation of NCA-Peptides Hiroshi Enomoto, Benjamin Nottelet, Soultan Al Halifa, Christine Enjalbal, Mathieu Dupré, Julien
More informationSulfuric Acid-Catalyzed Conversion of Alkynes to Ketones in an Ionic Liquid Medium under Mild Reaction Conditions
Sulfuric Acid-Catalyzed Conversion of Alkynes to Ketones in an Ionic Liquid Medium under Mild Reaction Conditions Wing-Leung Wong, Kam-Piu Ho, Lawrence Yoon Suk Lee, Kin-Ming Lam, Zhong-Yuan Zhou, Tak
More informationO-Allylation of phenols with allylic acetates in aqueous medium using a magnetically separable catalytic system
Supporting information for -Allylation of phenols with allylic acetates in aqueous medium using a magnetically separable catalytic system Amit Saha, John Leazer* and Rajender S. Varma* Sustainable Technology
More informationIon-Induced Reorientation and Distribution of Pentanone in the Air Water Boundary Layer
pubs.acs.org/jpca Ion-Induced Reorientation and Distribution of Pentanone in the Air Water Boundary Layer Kathryn L. Plath, Nicholas A. Valley, and Geraldine L. Richmond* Department of Chemistry, University
More informationPrinciples of Molecular Spectroscopy: Electromagnetic Radiation and Molecular structure. Nuclear Magnetic Resonance (NMR)
Principles of Molecular Spectroscopy: Electromagnetic Radiation and Molecular structure Nuclear Magnetic Resonance (NMR) !E = h" Electromagnetic radiation is absorbed when the energy of photon corresponds
More informationExperimental procedures and characterization of the supramolecular complexes
Supporting Information for Impact of cyclodextrins on the behavior of amphiphilic ligands in aqueous organometallic catalysis Hervé Bricout 1, Estelle Léonard 2, Christophe Len 2, David Landy 3, Frédéric
More informationSupporting Information
S1 Supporting Information Synthesis, Characterization, and Photophysical properties of a melamine-mediated hydrogenbonded phthalocyanine-perylenediimide assembly Ángel J. Jiménez,, Rafael Krick Calderón,
More informationSupporting Information
Supporting Information Supplementary Materials Isolation and characterisation of well-defined silicasupported azametallacyclopentane: key intermediate in catalytic hydroaminoalkylation reactions Bilel
More information7a. Structure Elucidation: IR and 13 C-NMR Spectroscopies (text , , 12.10)
2009, Department of Chemistry, The University of Western Ontario 7a.1 7a. Structure Elucidation: IR and 13 C-NMR Spectroscopies (text 11.1 11.5, 12.1 12.5, 12.10) A. Electromagnetic Radiation Energy is
More informationPreparation of Series Schiff Bases and Studying of their Liquid Crystalline Behavior
Preparation of Series Schiff Bases and Studying of their Liquid Crystalline Behavior Dr. Kareem Jaber 1 1 Assistant Professor, Department of Chemistry, Faculty of Science. Email: karee2000@hotmail.com
More informationSupporting Information
Supporting Information Solid-state Conversion of Processable 3,4-Ethylenedioxythiophene (EDOT) Containing Poly(arylsilane) Precursors to π-conjugated Conducting Polymers Jayesh G. Bokria, Arvind Kumar,
More informationIR Spectrography - Absorption. Raman Spectrography - Scattering. n 0 n M - Raman n 0 - Rayleigh
RAMAN SPECTROSCOPY Scattering Mid-IR and NIR require absorption of radiation from a ground level to an excited state, requires matching of radiation from source with difference in energy states. Raman
More informationSupplementary Information for. Vibrational Spectroscopy at Electrolyte Electrode Interfaces with Graphene Gratings
Supplementary Information for Vibrational Spectroscopy at Electrolyte Electrode Interfaces with Graphene Gratings Supplementary Figure 1. Simulated from pristine graphene gratings at different Fermi energy
More informationSupplementary Materials. Table of contents
Supplementary Materials Microwave- Assisted Multicomponent Ecofriendly Synthesis of 3-Bihetaryl-2-oxindole Derivatives Grafted with Phenothiazine Moiety A. S. Al-Bogami 1 and A. S. El-Ahl 1,2 * 1 Chemistry
More informationA dual-model and on off fluorescent Al 3+ /Cu 2+ - chemosensor and the detection of F /Al 3+ with in situ prepared Al 3+ /Cu 2+ complex
Supporting Information (SI) A dual-model and on off fluorescent Al 3+ /Cu 2+ - chemosensor and the detection of F /Al 3+ with in situ prepared Al 3+ /Cu 2+ complex Xiaoya Li, Mingming Yu, Faliu Yang, Xingjiang
More informationSupplementary Information T. Ebert, a A. Wollbrink, b A. Seifert, a R. John, a and S. Spange a
Electronic Supplementary Material (ESI for Polymer Chemistry. This journal is The Royal Society of Chemistry Please do 216 not adjust margins ARTICLE Supplementary Information T. Ebert, a A. Wollbrink,
More informationBabak Karimi* and Majid Vafaeezadeh
Electronic upplementary Material (EI) for RC Advances This journal is The Royal ociety of Chemistry 2013 BA-15 functionalized sulfonic acid confined hydrophobic and acidic ionic liquid: a highly efficient
More informationChemistry 2. Assumed knowledge
Chemistry 2 Lecture 8 IR Spectroscopy of Polyatomic Molecles Assumed knowledge There are 3N 6 vibrations in a non linear molecule and 3N 5 vibrations in a linear molecule. Only modes that lead to a change
More informationHigh-power Broadband Organic THz Generator
Supplementary Information High-power Broadband Organic THz Generator Jae-Hyeok Jeong,1, Bong-Joo Kang,2, Ji-Soo Kim 1, Mojca Jazbinsek 3, Seung-Heon Lee 1, Seung-Chul Lee 1, In-Hyung Baek 2, Hoseop Yun
More informationCritical Micellization Concentration Determination using Surface Tension Phenomenon
Critical Micellization Concentration Determination using Phenomenon 1. Introduction Surface-active agents (surfactants) were already known in ancient times, when their properties were used in everyday
More informationYin and yang in chemistry education: the complementary nature of FTIR and NMR spectroscopies
APPLICATION NOTE Yin and yang in chemistry education: the complementary nature of FTIR and NMR spectroscopies No. 52742 Authors: Matthew Gundlach, Katherine Paulsen, Michael Garry, Steve Lowry, Thermo
More informationSupporting Information for. Near infrared-to-blue photon upconversion by exploiting direct. S-T absorption of a molecular sensitizer
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2017 Supporting Information for Near infrared-to-blue photon upconversion by
More informationMicroscopic Structure and Dynamics of Air/Water Interface by Computer Simulations and Comparison with Sum-Frequency Generation Experiments
107 Chapter 5 Microscopic Structure and Dynamics of Air/Water Interface by Computer Simulations and Comparison with Sum-Frequency Generation Experiments The hydrogen (H) bonded structure of water at the
More informationKinetics experiments were carried out at ambient temperature (24 o -26 o C) on a 250 MHz Bruker
Experimental Materials and Methods. All 31 P NMR and 1 H NMR spectra were recorded on 250 MHz Bruker or DRX 500 MHz instruments. All 31 P NMR spectra were acquired using broadband gated decoupling. 31
More informationTime and space resolved spectroscopy of nanoenergetic materials Dana Dlott
Time and space resolved spectroscopy of nanoenergetic materials Dana Dlott Hyunung Yu Selezion A. Hambir School of Chemical Sciences and Fredrick Seitz Materials Research Laboratory University of Illinois
More informationHalogen halogen interactions in diiodo-xylenes
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) for CrystEngComm. This journal is The Royal Society
More informationElectronic Supporting Information
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Electronic Supporting Information for Mechanochemical reactions studied by in situ Raman spectroscopy:
More informationSecondary Ion Mass Spectrometry (SIMS)
CHEM53200: Lecture 10 Secondary Ion Mass Spectrometry (SIMS) Major reference: Surface Analysis Edited by J. C. Vickerman (1997). 1 Primary particles may be: Secondary particles can be e s, neutral species
More information[(NHC)Au I ]-Catalyzed Acid Free Hydration of Alkynes at Part-Per-Million Catalyst Loadings
SUPPORTING INFORMATION [(NHC)Au I ]-Catalyzed Acid Free Hydration of Alkynes at Part-Per-Million Catalyst Loadings Nicolas Marion, Rubén S. Ramón, and Steven P. Nolan Institute of Chemical Research of
More informationSupplemental Information
Supplemental Information A. Chemical List Chemical Supplier Purity Piperazine Sigma-Aldrich >99% Ethanolamine Fisher Chemicals >99% Diethanolamine Fisher Chemicals >99% Methyldiethanolamine Sigma-Aldrich
More informationSupplementary Information. Rational Design of Soluble and Clickable Polymers Prepared by. Conventional Free Radical Polymerization of
Electronic Supplementary Material (ESI) for Polymer Chemistry. This journal is The Royal Society of Chemistry 2017 Supplementary Information Rational Design of Soluble and Clickable Polymers Prepared by
More informationSupporting information
Supporting information Imidazolium end-functionalized poly(l-lactide) for Efficient Carbon Nanotube Dispersion. Franck Meyer, a Jean-Marie Raquez, a Olivier Coulembier, a Julien De Winter, b Pascal Gerbaux,
More informationSupplementary Material (ESI) for Chemical Communications This journal is (c) The Royal Society of Chemistry 2011
Supporting Information Experimental General procedures The product distribution of the reaction of PCl 3 for the synthesis of chlorophosphoramidites was examined in situ by 31 P NMR and 1 H- 31 P coupled
More informationN-Spirocyclic Quaternary Ammonium Ionenes for Anion- Exchange Membranes
Supporting Information N-Spirocyclic Quaternary Ammonium Ionenes for Anion- Exchange Membranes Thanh Huong Pham, Joel S. Olsson and Patric Jannasch* Polymer & Materials Chemistry, Department of Chemistry,
More informationCollege of Chemistry and Chemical Engineering, Shenzhen University, Shenzheng, Guangdong, P. R. China. 2
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 5 Supplementary Information Remarkable Effects of Solvent and Substitution on Photo-dynamics
More informationSupporting information
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Supporting information From competition to cooperation: a highly efficient strategy towards well-defined
More informationNTCDA-TTF First Axial Fusion: Emergent Panchromatic, NIR Optical, Multi-state Redox and High Optical Contrast Photooxidation
NTCDA-TTF First Axial Fusion: Emergent Panchromatic, NIR Optical, Multi-state Redox and High Optical Contrast Photooxidation Deepak Asthana, a M. R. Ajayakumar, a Rajendra Prasad Pant b and Pritam Mukhopadhyay*
More informationChia-Shing Wu, Huai-An Lu, Chiao-Pei Chen, Tzung-Fang Guo and Yun Chen*
Electronic Supplementary Material (ESI) for rganic & Biomolecular Chemistry Supporting Information Water/alcohol soluble electron injection material containing azacrown ether groups: Synthesis, characterization
More informationSupporting Information Experimental details
Reaction of Elemental Chalcogens with Imidazolium Acetates to Yield Imidazole-2- chalcogenones: Direct Evidence for Ionic Liquids as Proto-Carbenes Héctor Rodríguez, Gabriela Gurau, John D. Holbrey and
More informationModule 4 : Third order nonlinear optical processes. Lecture 28 : Inelastic Scattering Processes. Objectives
Module 4 : Third order nonlinear optical processes Lecture 28 : Inelastic Scattering Processes Objectives In this lecture you will learn the following Light scattering- elastic and inelastic-processes,
More informationN-[2-(dimethylamino)ethyl]-1,8-naphthalimide Derivatives as Photoinitiators under LEDs
Electronic Supplementary Material (ESI) for Polymer Chemistry. This journal is The Royal Society of Chemistry 18 Supporting Information: -[2-(dimethylamino)ethyl]-1,8-naphthalimide Derivatives as Photoinitiators
More informationFocus on accomplishments and problems
Ultrafast Dynamics of NEEMs Focus on accomplishments and problems Ultrafast t flash-heating h experiments Ultrafast heating of self-assembled monolayers Emission from flash-heated Al/Teflon Infrared probing
More informationAn Efficient Total Synthesis and Absolute Configuration. Determination of Varitriol
An Efficient Total Synthesis and Absolute Configuration Determination of Varitriol Ryan T. Clemens and Michael P. Jennings * Department of Chemistry, University of Alabama, 500 Campus Dr. Tuscaloosa, AL
More informationDual Catalyst System provides the Shortest Pathway for l-menthol Synthesis
Chemical Communications Supporting Information Dual Catalyst System provides the Shortest Pathway for l-menthol Synthesis Hironori Maeda, Shinya Yamada, Hisanori Itoh, and Yoji Hori* Takasago International
More informationSupplementary Material. Ionic liquid iodinating reagent for mild and efficient iodination of. aromatic and heteroaromatic amines and terminal alkynes
Supplementary Material onic liquid iodinating reagent for mild and efficient iodination of aromatic and heteroaromatic amines and terminal alkynes Mahboobe Nouzarian 1, Rahman Hosseinzadeh 1,*, and Hamid
More informationSupplementary information
Supplementary information Supplementary Information for Exceptional Ammonia Uptake by a Covalent Organic Framework Christian J. Doonan, David J. Tranchemontagne,T. Grant Glover, Joseph R. Hunt, Omar M.
More informationSupporting Information
Supporting Information Solid Polymer Electrolytes Based on Functionalized Tannic Acids from Natural Resources for All-Solid-State Lithium- Ion Batteries Jimin Shim, [a] Ki Yoon Bae, [b] Hee Joong Kim,
More informationA Poly(ethylene glycol)-supported Quaternary Ammonium Salt: An Efficient, Recoverable, and Recyclable Phase-Transfer Catalyst
Supplementary Information for A Poly(ethylene glycol)-supported Quaternary Ammonium Salt: An Efficient, Recoverable, and Recyclable Phase-Transfer Catalyst Rita Annunziata, Maurizio Benaglia, Mauro Cinquini,
More informationA Class of Efficient Short-Chain Fluorinated Catanionic Surfactants. P. Verdia, H. Q. N. Gunaratne, T. Y. Goh, J. Jacquemin, and M.
Electronic upplementary Material (EI) for Green Chemistry. This journal is The Royal ociety of Chemistry 205 Electronic upplementary Information A Class of Efficient hort-chain luorinated Catanionic urfactants
More informationElectronic Supplementary Information (ESI) A Green Miniemulsion-Based Synthesis of Polymeric Aggregation-Induced Emission.
Electronic Supplementary Material (ESI) for Polymer Chemistry. This journal is The Royal Society of Chemistry 215 Electronic Supplementary Information (ESI) A Green Miniemulsion-Based Synthesis of Polymeric
More informationBiasing hydrogen bond donating host systems towards chemical
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2016 Biasing hydrogen bond donating host systems towards chemical warfare agent
More informationLecture 8. Assumed knowledge
Chemistry 2 Lecture 8 IR Spectroscopy of Polyatomic Molecles Assumed knowledge There are 3N 6 vibrations in a non linear molecule and 3N 5 vibrations in a linear molecule. Only modes that lead to a change
More informationQuestions on Instrumental Methods of Analysis
Questions on Instrumental Methods of Analysis 1. Which one of the following techniques can be used for the detection in a liquid chromatograph? a. Ultraviolet absorbance or refractive index measurement.
More informationN E W S L E T T E R F R O M TO S H V I N A N A LY T I C A L P V T. LT D.
N E W S L E T T E R F R O M TO S H V I N A N A LY T I C A L P V T. LT D. AUGUST 204 TABLE OF CONTENTS Evaluation of Light Intensity Graph and Particle Size Distribution of Mixture Particle Application
More informationThe importance of functional monomer dimerization in molecular imprinting process
Supplementary Information for The importance of functional monomer dimerization in molecular imprinting process Authors: Yagang Zhang, Di Song, Laura M. Lanni, Ken D. Shimizu* Department of Chemistry and
More informationCHEM 241 UNIT 5: PART A DETERMINATION OF ORGANIC STRUCTURES BY SPECTROSCOPIC METHODS [MASS SPECTROMETRY]
CHEM 241 UNIT 5: PART A DETERMINATION OF ORGANIC STRUCTURES BY SPECTROSCOPIC METHODS [MASS SPECTROMETRY] 1 Introduction Outline Mass spectrometry (MS) 2 INTRODUCTION The analysis of the outcome of a reaction
More informationContinuous flow iodination using an automated computer-vision controlled liquid-liquid extraction system [Supporting Information]
Continuous flow iodination using an automated computer-vision controlled liquid-liquid extraction system [Supporting Information] Matthew O Brien*, Dennis A. Cooper and Jonathan Dolan. Lennard-Jones Building,
More informationSupramolecular chemical shift reagents inducing conformational transition: NMR analysis of carbohydrate homooligomer mixtures
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Supramolecular chemical shift reagents inducing conformational transition: NMR analysis of carbohydrate
More information