Chem 673, Problem Set 5 Due Thursday, December 1, 2005
|
|
- Ira Clarke
- 5 years ago
- Views:
Transcription
1 otton, Problem 9.3 (assume D 4h symmetry) Additional Problems: hem 673, Problem Set 5 Due Thursday, December 1, 2005 (1) Infrared and Raman spectra of Benzene (a) Determine the symmetries (irreducible representations) of the vibrational modes of benzene. (b) Which infrared fundamental bands are symmetry allowed? Raman? (c) Find the symmetries expected for the H and stretching regions of the spectrum. (d) Examine the H stretching region (~ 3100 cm 1 ) and offer an explanation for what is observed (is it expected?). (2) Some Seven-oordinate yanide complexes (a) Two important idealized geometries for y seven coordination are the monocapped x trigonal prism (a) and the pentagonal bipyramid (b). The seven-coordinate complex Mo() 4 Mo Mo 7 has been studied both as solid K 4 Mo() 7 2H 2 O and in aqueous solution. In the stretching region the (a) (b) IR spectrum has bands at 2119, 2115, 2090, 2080, 2074, and 2059 cm -1 for the solid and at 2080 and 2040 cm -1 for solutions. How many Raman and infrared bands would you expect for each geometry above and how many coincidences (bands present in both the IR and Raman spectra) should there be for each geometry? How do you interpret these data? (3) (a) Determine the number and activities of the carbonyl stretching modes of both the cis and trans isomers of L 2 M(O) 4. (b) Fe(O) 4 l 2 has IR bands at 2167, 2126, and 2082 cm -1 in Hl 3 solution. How would you interpret this spectrum? z
2 (c) Draw a picture of each carbonyl stretching symmetry coordinate of each isomer of L 2 M(O) 4. As an example of what we are looking for, the modes of mer-l 3 M(O) 3 are drawn above. The symbol stands for bond stretching and the symbol denotes bond compression. ote that the stretching of a unique chemical bond, as in the center diagram below, is always a legitimate basis for a symmetry coordinate. (4) The IR spectrum of Os(H 3 ) 4 ( 2 ) 2 2+ is shown in (a) below. Based on the appearance of the stretching region (~2000 cm -1 ), is this a cis or trans isomer? The IR spectra of I and II below are shown in (b). What is the formal oxidation state of Os in I and II? (Explain your answer!) an you interpret the spectrum of the stretching region in terms of local symmetry about the 2 groups? (Local symmetry means just considering nearest neighbors, i.e., X Y.)
3 (5) Slater determinants and Symmetries of States (a) Find all the states derived from the ground t 3 2g configuration of the r() 6 3- ion. This can t be easily done using character tables and methods given in otton s book, but methods discussed in class will work. [You can cheat and figure out the answer from inspection of a Tanabe-Sugano diagram. If you do this, please indicate that fact on your problem set and you must still go back and show how to do it without relying on the answer. In either case, explain how the answer can be obtained from a Tanabe-Sugano diagram.] (b) Only one Slater determinant (label it as D 1 ) can be constructed for this configuration for which M S = 3/2. To what state does this determinant belong? Show by use of the O rotational symmetry group operations that your answer is correct. [Hint: In working this out, recall that the symmetry operators change only the spatial coordinates of the electrons and have no influence on the spins. Also remember that a determinant changes sign when any two columns are permuted.] (c) How many Slater determinants can be constructed for which M S = 1/2? These determinants can be physically divided into two distinct types: (I) those which have all three electrons in different orbitals; (II) those in which two electrons are in the same orbital. Since there is no way for a symmetry operation to interconvert determinants of different type, it is useful to separate these two types. Write each of these determinants out (in compact form) and label them D 2, D 3, [Hint: To get you thinking on the right track, one the determinants of type I is x y xz yz, where xy, xz, and yz refer to d orbitals, and the bar on top refers to a down-spin electron.] (d) For which irreducible representation(s) do determinants of type I form a basis? (e) For which irreducible representation(s) do determinants of type II form a basis? (f) In part (b), you dealt with the M S = 3/2 component of a quartet state, for which there are three other components with the same energy with M S = 1/2, 1/2, and 3/2. In either part (d) or part (e), you should have found which determinants are used to build the wavefunction for the M S = 1/2 component of this state. Use a projection operator for the quartet state symmetry to obtain a linear combination of determinants for the M S = 1/2 component of this state. (g) ow for some reasoning not based on symmetry. Shown at right is an approximate state (not orbital) diagram showing the relative energies of the states involved in this problem. The degeneracies of the states are not indicated. The two intermediate energies indicate distinct states that are accidentally degenerate (at the level of approximation used), and do not have the same energy by symmetry. K xy,xz is called an exchange integral, but arises from a physical difference in the electron-electron repulsion in the states (its precise definition can be found in any good physical chemistry book). Using qualitative reasoning, explain which state is the lowest in energy and discuss which determinants should contribute most to the lowest energy states, the middle states, and the highest states?
4 (6) Virtually all discussion of MR chemical shifts begins with Ramsey s expression, which breaks the chemical shift into two components, diamagnetic (σ d ) and paramagnetic (σ p ):! =! d +! p (1) L i"! " p (Z) = # µ 0 % L i" k k % 0 e2 i r % 3 i Z r k k 3 % L 0 i" i Z i 8$m % (2) 2 E k # E 0 k & 0 where Z is the nucleus under consideration, α runs over the artesian coordinates, k runs over all excited states, and i runs over all the electrons. The paramagnetic contribution to shielding, σ p, arises from the second-order mixing of paramagnetic excited states into the ground state by the applied magnetic field. The L iα operators are just the orbital angular momentum operators for the atom whose nucleus is under study (i.e., they are L x, L y, and L z for the α th atom). These operators transform in the same way as the rotations R x, R y, and R z. The denominators involve energy differences between the ground state (signified by " 0 " and " 0 " symbols in the numerator) and excited states, each labeled by the index k (signified by " k " and " k " symbols). Terms in the numerator involve integrals between ground and excited states (eg., k " L i! 0 ). i The presence of the paramagnetic term does not mean that the molecule being studied is paramagnetic (MR of paramagnetic molecules is often difficult to observe at all), but reflects the existence of low-lying paramagnetic excited states. σ p is by far the dominant contribution to the chemical shifts of most nuclei (but not those of hydrogen, 1 H, 2 H, 3 H) because chemical bonding for most atoms involves orbitals for which angular momentum is not zero (i.e., most atoms use p or d orbitals in bonding). [o(o 3 ) 3 ]3- [o(h 3 ) 6 ]3+ [o(acac) 3 ] [o(en) 3 ]3+ Mn(O) 5 o(o) 4 L i" [o() 6 ]3- [o(o) 4 ]- oh(pf 3 ) ppm [o(oh 2 ) 6 ]3+ op(o) 2 o 2 (O) 8 The 59 o nucleus has a very large MR chemical shift range; the figure above shows some representative complexes and their 59 o MR chemical shifts. All these complexes are low-spin and many are d 6 systems with approximately octahedral coordination environments.
5 Your problem: Write a clear explanation for the trend in the chemical shifts of the d 6 octahedral complexes in the figure. Once you have understood this problem, a clear explanation should be possible in one or two clear paragraphs. Your explanation should be as specific as possible and you should consider the following: (a) Ligand field strength (b) The restrictions that symmetry places on which integrals in the numerator of Ramsey s formula are nonzero.
Chem 673, Problem Set 5 Due Thursday, November 29, 2007
Chem 673, Problem Set 5 Due Thursday, November 29, 2007 (1) Trigonal prismatic coordination is fairly common in solid-state inorganic chemistry. In most cases the geometry of the trigonal prism is such
More informationChem 673, Problem Set 5 Due Tuesday, December 2, 2008
Chem 673, Problem Set 5 Due Tuesday, December 2, 2008 (1) (a) Trigonal bipyramidal (tbp) coordination is fairly common. Calculate the group overlaps of the appropriate SALCs for a tbp with the 5 d-orbitals
More informationQuiz 5 R = lit-atm/mol-k 1 (25) R = J/mol-K 2 (25) 3 (25) c = X 10 8 m/s 4 (25)
ADVANCED INORGANIC CHEMISTRY QUIZ 5 and FINAL December 18, 2012 INSTRUCTIONS: PRINT YOUR NAME > NAME. QUIZ 5 : Work 4 of 1-5 (The lowest problem will be dropped) FINAL: #6 (10 points ) Work 6 of 7 to 14
More informationb) For this ground state, obtain all possible J values and order them from lowest to highest in energy.
Problem 1 (2 points) Part A Consider a free ion with a d 3 electronic configuration. a) By inspection, obtain the term symbol ( 2S+1 L) for the ground state. 4 F b) For this ground state, obtain all possible
More informationb) For this ground state, obtain all possible J values and order them from lowest to highest in energy.
Problem 1 (2 points) Part A Consider a free ion with a d 3 electronic configuration. a) By inspection, obtain the term symbol ( 2S+1 L) for the ground state. 4 F b) For this ground state, obtain all possible
More informationChem 673, Problem Sets 4 & 5 Due Tuesday, December 3, Problems from Carter: Chapter 6: 6.1, 6.3, 6.7, 6.9 Chapter 7: 7.2a,b,e,g,i,j, 7.
Chem 673, Problem Sets 4 & 5 Due Tuesday, December 3, 2013 Problems from Carter: Chapter 6: 6.1, 6.3, 6.7, 6.9 Chapter 7: 7.2a,b,e,g,i,j, 7.6, (1) Use the angular overlap table given on the back page of
More informationQuantum Number. i. Degeneracy is when orbitals have the same value of n.
Quantum Number 1. Principal Quantum Number a. Is represented by n b. Has values from ranging from 1 c. Indicates the size and energy level in which the electron is housed. The bigger the n value, the further
More informationOther Crystal Fields
Other Crystal Fields! We can deduce the CFT splitting of d orbitals in virtually any ligand field by " Noting the direct product listings in the appropriate character table to determine the ways in which
More informationAbsorption Spectra. ! Ti(H 2 O) 6 3+ appears purple (red + blue) because it absorbs green light at ~500 nm = ~20,000 cm 1.
Absorption Spectra! Colors of transition metal complexes result from absorption of a small portion of the visible spectrum with transmission of the unabsorbed frequencies. Visible Spectra of [M(H 2 O)
More informationLigand Field Theory Notes
Ligand Field Theory Notes Read: Hughbanks, Antisymmetry (Handout). Carter, Molecular Symmetry..., Sections 7.4-6. Cotton, Chemical Applications..., Chapter 9. Harris & Bertolucci, Symmetry and Spectroscopy...,
More informationChm 363. Spring 2017, Exercise Set 3 Transition Metal Bonding and Spectra. Mr. Linck. Version 1.5 March 9, 2017
Chm 363 Spring 2017, Exercise Set 3 Transition Metal Bonding and Spectra Mr. Linck Version 1.5 March 9, 2017 3.1 Transition Metal Bonding in Octahedral Compounds How do the metal 3d, 4s, and 4p orbitals
More informationIn the fourth problem set, you derived the MO diagrams for two complexes containing Cr-Cr bonds:
Problem 1 (2 points) Part 1 a. Consider the following V III complexes: V(H2O)6 3+, VF6 3-, and VCl6 3-. The table below contains the energies corresponding to the two lowest spin-allowed d-d transitions
More informationSymmetry: Translation and Rotation
Symmetry: Translation and Rotation The sixth column of the C 2v character table indicates the symmetry species for translation along (T) and rotation about (R) the Cartesian axes. y y y C 2 F v (x) T x
More informationElectronic Spectra of Coordination Compounds
Electronic Spectra of Coordination Compounds Microstates and free-ion terms for electron configurations Identify the lowest-energy term Electronic Spectra of Coordination Compounds Identify the lowest-energy
More informationElectronic Spectra of Complexes
Electronic Spectra of Complexes Interpret electronic spectra of coordination compounds Correlate with bonding Orbital filling and electronic transitions Electron-electron repulsion Application of MO theory
More informationExperiment 15: Atomic Orbitals, Bond Length, and Molecular Orbitals
Experiment 15: Atomic Orbitals, Bond Length, and Molecular Orbitals Introduction Molecular orbitals result from the mixing of atomic orbitals that overlap during the bonding process allowing the delocalization
More informationindicating the configuration they correspond to and predict their relative energy.
Problem 1 (1 point) Three center four electron (3c/4e) bonds were introduced in class. John F. Berry (Dalton Trans. 2012, 41, 700-713) discusses the effect of the larger density of states for the 3c/4e
More informationElectronic Selection Rules (II)
Term Symbols Electronic Selection Rules (II) IMPORTANT now we are finally ready to clearly define our electronic states! microstates for a particular atomic configuration are grouped into what are called
More informationwhere, c is the speed of light, ν is the frequency in wave numbers (cm -1 ) and µ is the reduced mass (in amu) of A and B given by the equation: ma
Vibrational Spectroscopy A rough definition of spectroscopy is the study of the interaction of matter with energy (radiation in the electromagnetic spectrum). A molecular vibration is a periodic distortion
More information5.4. Electronic structure of water
5.4. Electronic structure of water Water belongs to C 2v point group, we have discussed the corresponding character table. Here it is again: C 2v E C 2 σ v (yz) σ v (xz) A 1 1 1 1 1 A 2 1 1-1 -1 B 1 1-1
More informationChemistry 543--Final Exam--Keiderling May 5, pm SES
Chemistry 543--Final Exam--Keiderling May 5,1992 -- 1-5pm -- 174 SES Please answer all questions in the answer book provided. Make sure your name is clearly indicated and that the answers are clearly numbered,
More information2. (10%) Correct answers are given below. Every correct answer gives a student 1⅔=1.666 point. There are no negative points for incorrect answers
1. (9%) There are 9 correct answers: (0,0), (1,-1), (1,0), (1,1), (2,-2), (2,-1), (2,0), (2,1), and (2,2). Each correct answer gives a student +1 point. All other answers are incorrect. Every incorrect
More information2018 Ch112 problem set 6 Due: Thursday, Dec. 6th. Problem 1 (2 points)
Problem 1 (2 points) a. Consider the following V III complexes: V(H2O)6 3+, VF6 3-, and VCl6 3-. The table below contains the energies corresponding to the two lowest spin-allowed d-d transitions (υ1 and
More informationChem 344 Final Exam Tuesday, Dec. 11, 2007, 3-?? PM
Chem 344 Final Exam Tuesday, Dec. 11, 2007, 3-?? PM Closed book exam, only pencils and calculators permitted. You may bring and use one 8 1/2 x 11" paper with anything on it. No Computers. Put all of your
More informationChapter 9 Molecular Geometry and Bonding Theories
Lecture Presentation Chapter 9 Geometry James F. Kirby Quinnipiac University Hamden, CT Shapes Lewis Structures show bonding and lone pairs, but do not denote shape. However, we use Lewis Structures to
More informationCoordination Chemistry: Bonding Theories. Crystal Field Theory. Chapter 20
Coordination Chemistry: Bonding Theories Crystal Field Theory Chapter 0 Review of the Previous Lecture 1. We discussed different types of isomerism in coordination chemistry Structural or constitutional
More information6.2. Introduction to Spectroscopic states and term symbols
Chemistry 3820 Lecture Notes Dr. M. Gerken Page62 6.2. Introduction to Spectroscopic states and term symbols From the number of absorption bands we have already seen that usually more d-d transitions are
More informationCrystal Field Theory History
Crystal Field Theory History 1929 Hans Bethe - Crystal Field Theory (CFT) Developed to interpret color, spectra, magnetism in crystals 1932 J. H. Van Vleck - CFT of Transition Metal Complexes Champions
More informationSymmetrical: implies the species possesses a number of indistinguishable configurations.
Chapter 3 - Molecular Symmetry Symmetry helps us understand molecular structure, some chemical properties, and characteristics of physical properties (spectroscopy) used with group theory to predict vibrational
More informationTables for Group Theory
Tables for Group Theory By P. W. ATKINS, M. S. CHILD, and C. S. G. PHILLIPS This provides the essential tables (character tables, direct products, descent in symmetry and subgroups) required for those
More informationColors of Co(III) solutions. Electronic-Vibrational Coupling. Vibronic Coupling
Colors of Co(III) solutions Electronic-Vibrational Coupling Vibronic Coupling Because they have g g character, the d-d transitions of complees of the transition metals are forbidden (LaPorte forbidden).
More informationChapter 9. Molecular Geometry and Bonding Theories
Chapter 9 Molecular Geometry and Bonding Theories MOLECULAR SHAPES 2 Molecular Shapes Lewis Structures show bonding and lone pairs do not denote shape Use Lewis Structures to determine shapes Molecular
More informationHow to identify types of transition in experimental spectra
17 18 19 How to identify types of transition in experimental spectra 1. intensity 2. Band width 3. polarization Intensities are governed by how well the selection rules can be applied to the molecule under
More informationMo 2+, Mo 2+, Cr electrons. Mo-Mo quadruple bond.
Problem 1 (2 points) 1. Consider the MoMoCr heterotrimetallic complex shown below (Berry, et. al. Inorganica Chimica Acta 2015, p. 241). Metal-metal bonds are not drawn. The ligand framework distorts this
More information5.80 Small-Molecule Spectroscopy and Dynamics
MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 008 For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms. Fall, 008
More informationChemistry 431. Lecture 14. Wave functions as a basis Diatomic molecules Polyatomic molecules Huckel theory. NC State University
Chemistry 431 Lecture 14 Wave functions as a basis Diatomic molecules Polyatomic molecules Huckel theory NC State University Wave functions as the basis for irreducible representations The energy of the
More informationChapter 9. Molecular Geometry and Bonding Theories
Chapter 9. Molecular Geometry and Bonding Theories 9.1 Molecular Shapes Lewis structures give atomic connectivity: they tell us which atoms are physically connected to which atoms. The shape of a molecule
More informationRDCH 702 Lecture 4: Orbitals and energetics
RDCH 702 Lecture 4: Orbitals and energetics Molecular symmetry Bonding and structure Molecular orbital theory Crystal field theory Ligand field theory Provide fundamental understanding of chemistry dictating
More information7. Arrange the molecular orbitals in order of increasing energy and add the electrons.
Molecular Orbital Theory I. Introduction. A. Ideas. 1. Start with nuclei at their equilibrium positions. 2. onstruct a set of orbitals that cover the complete nuclear framework, called molecular orbitals
More informationMolecular Symmetry. Symmetry is relevant to: spectroscopy, chirality, polarity, Group Theory, Molecular Orbitals
Molecular Symmetry Symmetry is relevant to: spectroscopy, chirality, polarity, Group Theory, Molecular Orbitals - A molecule has a symmetry element if it is unchanged by a particular symmetry operation
More information4) protons experience a net magnetic field strength that is smaller than the applied magnetic field.
1) Which of the following CANNOT be probed by an spectrometer? See sect 15.1 Chapter 15: 1 A) nucleus with odd number of protons & odd number of neutrons B) nucleus with odd number of protons &even number
More informationChemistry 120A 2nd Midterm. 1. (36 pts) For this question, recall the energy levels of the Hydrogenic Hamiltonian (1-electron):
April 6th, 24 Chemistry 2A 2nd Midterm. (36 pts) For this question, recall the energy levels of the Hydrogenic Hamiltonian (-electron): E n = m e Z 2 e 4 /2 2 n 2 = E Z 2 /n 2, n =, 2, 3,... where Ze is
More informationPAPER No. : 8 (PHYSICAL SPECTROSCOPY) MODULE NO. : 23 (NORMAL MODES AND IRREDUCIBLE REPRESENTATIONS FOR POLYATOMIC MOLECULES)
Subject Chemistry Paper No and Title Module No and Title Module Tag 8/ Physical Spectroscopy 23/ Normal modes and irreducible representations for polyatomic molecules CHE_P8_M23 TABLE OF CONTENTS 1. Learning
More information130 points on 6 pages + a useful page 7
Name KEY Chemistry 350 Spring 2012 Exam #2, March 30, 2012 50 minutes 130 points on 6 pages + a useful page 7 1. Circle the element/compound most likely to have the desired property. Briefly explain your
More informationElectronic structure Crystal-field theory Ligand-field theory. Electronic-spectra electronic spectra of atoms
Chapter 19 d-metal complexes: electronic structure and spectra Electronic structure 19.1 Crystal-field theory 19.2 Ligand-field theory Electronic-spectra 19.3 electronic spectra of atoms 19.4 electronic
More informationTables for Group Theory
Tables for Group Theory By P. W. ATKINS, M. S. CHILD, and C. S. G. PHILLIPS This provides the essential tables (character tables, direct products, descent in symmetry and subgroups) required for those
More informationAssignment 3 Due Tuesday, March 31, 2009
Assignment 3 Due Tuesday, March 31, 2009 Download and read the Math_techniques.pdf file from the Handouts section of the class web page. Do problems 1, 2, and 4 following section C (for problem 1, you
More informationLECTURE 3 DIRECT PRODUCTS AND SPECTROSCOPIC SELECTION RULES
SYMMETRY II. J. M. GOICOECHEA. LECTURE 3 1 LECTURE 3 DIRECT PRODUCTS AND SPECTROSCOPIC SELECTION RULES 3.1 Direct products and many electron states Consider the problem of deciding upon the symmetry of
More informationLecture Presentation. Chapter 10 Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory
Lecture Presentation Chapter 10 Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory Predicting Molecular Geometry 1. Draw the Lewis structure. 2. Determine the number
More informationPAPER No.7 : Inorganic Chemistry-II MODULE No.1 : Crystal Field Theory
Subject Chemistry Paper No and Title Module No and Title Module Tag 7, Inorganic Chemistry II 1, Crystal Field Theory CHE_P7_M1 TABLE OF CONTENTS 1. Learning Outcomes 2. Introduction to Crystal Field Theory
More information4) protons experience a net magnetic field strength that is smaller than the applied magnetic field.
1) Which of the following CANNOT be probed by an spectrometer? See sect 16.1 Chapter 16: 1 A) nucleus with odd number of protons & odd number of neutrons B) nucleus with odd number of protons &even number
More informationA. General (10 points) 2 Points Each
Chem 104A - Midterm II Total Exam Score closed text, closed notes, no calculators There are 100 total points. General advice - if you are stumped by one problem, move on to finish other problems and come
More informationInorganic Chemistry with Doc M. Fall Semester, 2011 Day 19. Transition Metals Complexes IV: Spectroscopy
Inorganic Chemistry with Doc M. Fall Semester, 011 Day 19. Transition Metals Complexes IV: Spectroscopy Name(s): lement: Topics: 1. The visible spectrum and the d-orbitals 3. Octahedral fields. Term symbols
More informationLecture 9 Electronic Spectroscopy
Lecture 9 Electronic Spectroscopy Molecular Orbital Theory: A Review - LCAO approximaton & AO overlap - Variation Principle & Secular Determinant - Homonuclear Diatomic MOs - Energy Levels, Bond Order
More informationChapter 9. Molecular Geometry and Bonding Theories
Chapter 9. Molecular Geometry and Bonding Theories PART I Molecular Shapes Lewis structures give atomic connectivity: they tell us which atoms are physically connected to which atoms. The shape of a molecule
More informationProblem Set 2 Due Thursday, October 1, & & & & # % (b) Construct a representation using five d orbitals that sit on the origin as a basis:
Problem Set 2 Due Thursday, October 1, 29 Problems from Cotton: Chapter 4: 4.6, 4.7; Chapter 6: 6.2, 6.4, 6.5 Additional problems: (1) Consider the D 3h point group and use a coordinate system wherein
More information130 points on 6 pages + a useful page Circle the element/compound most likely to have the desired property. Briefly explain your choice
Name Chemistry 35 Spring 212 Exam #2, March 3, 212 5 minutes 13 points on 6 pages + a useful page 7 1. Circle the element/compound most likely to have the desired property. Briefly explain your choice
More informationExchange coupling can frequently be understood using a simple molecular orbital approach.
6.4 Exchange Coupling, a different perspective So far, we ve only been looking at the effects of J on the magnetic susceptibility but haven t said anything about how one might predict the sign and magnitude
More informationChapter 4 Symmetry and Chemical Bonding
Chapter 4 Symmetry and Chemical Bonding 4.1 Orbital Symmetries and Overlap 4.2 Valence Bond Theory and Hybrid Orbitals 4.3 Localized and Delocalized Molecular Orbitals 4.4 MX n Molecules with Pi-Bonding
More informationValence Bond Theory - Description
Bonding and Molecular Structure - PART 2 - Valence Bond Theory and Hybridization 1. Understand and be able to describe the Valence Bond Theory description of covalent bond formation. 2. Understand and
More informationOrbitals and energetics
Orbitals and energetics Bonding and structure Molecular orbital theory Crystal field theory Ligand field theory Provide fundamental understanding of chemistry dictating radionuclide complexes Structure
More informationChm December 2008
Inorganic Exam 3 Chm 451 4 December 2008 Name: Instructions. Always show your work where required for full credit. 1. (15 pts) True/False a T F Ionization energy decreases as one moves down from Li to
More informationElectronic structure considerations for C 2 and O 2
1 Electronic structure considerations for and O Millard H. Alexander This version dated January 3, 017 ONTENTS I. Preface 1 II. Electronic Hamiltonian III. Molecular Orbitals: 4 IV. Electronic States:
More informationLast Name or Student ID
12/9/15, Chem433 Final Exam Last Name or Student ID 1. (2 pts) 11. (4 pts) 2. (6 pts) 12. (3 pts) 3. (2 pts) 13. (4 pts) 4. (3 pts) 14. (3 pts) 5. (5 pts) 15. (3 pts) 6. (3 pts) 16. (7 pts) 7. (12 pts)
More information4) protons experience a net magnetic field strength that is smaller than the applied magnetic field.
1) Which of the following CANNOT be probed by an spectrometer? See sect 16.1 Chapter 16: 1 A) nucleus with odd number of protons & odd number of neutrons B) nucleus with odd number of protons &even number
More informationChapter 6 Answers to Problems
Chapter 6 Answers to Problems 6.1 (a) NH 3 C3v E 2C3 3 v 4 1 2 3 0 1 12 0 2 3n = 3A 1 A 2 4E trans = A 1 E rot = A 2 E = 2A 2E = 4 frequencies 3n-6 1 Infrared 4 (2A 1 2E) Raman 4 (2A 1 2E) Polarized 2
More informationChapter 9 - Covalent Bonding: Orbitals
Chapter 9 - Covalent Bonding: Orbitals 9.1 Hybridization and the Localized Electron Model A. Hybridization 1. The mixing of two or more atomic orbitals of similar energies on the same atom to produce new
More information1. (1 pt each) Multiple Choice. What explanation accounts for these observations about periodic trends?
Chm 451 with Dr. Mattson Exam 1 Name: 20 September 2011 1. (1 pt each) Multiple Choice. What explanation accounts for these observations about periodic trends? (a) The first ionization energy increases
More informationThe heart of group theory
The heart of group theory. We can represent a molecule in a mathematical way e.g. with the coordinates of its atoms. This mathematical description of the molecule forms a basis for symmetry operation.
More informationFinal Exam. Chemistry 639 Thursday, May 9, 2002
inal Exam Your ame: Chemistry 639 Thursday, May 9, 00 SS This is your final exam. You can use your notes or a textbook but cannot discuss anything with other students. You have 3 hours to complete the
More information11-1 Absorption of Light Quantum Numbers of Multielectron Atoms Electronic Spectra of Coordination Compounds
Chapter 11 Coordination Chemistry III: Electronic Spectra 11-1 Absorption of Light 11-2 Quantum Numbers of Multielectron Atoms 11-3 Electronic Spectra of Coordination Compounds Chapter 11 Coordination
More informationChapter 9 Molecular Geometry Valence Bond and Molecular Orbital Theory
Chapter 9 Molecular Geometry Valence Bond and Molecular Orbital Theory Chapter Objectives: Learn the basics of Valence Bond Theory and Molecular Orbital Theory and how they are used to model covalent bonding.
More informationCh. 9- Molecular Geometry and Bonding Theories
Ch. 9- Molecular Geometry and Bonding Theories 9.0 Introduction A. Lewis structures do not show one of the most important aspects of molecules- their overall shapes B. The shape and size of molecules-
More informationMolecular Structure and Orbitals
CHEM 1411 General Chemistry Chemistry: An Atoms First Approach by Zumdahl 2 5 Molecular Structure and Orbitals Chapter Objectives: Learn the basics of Valence Bond Theory and Molecular Orbital Theory and
More informationADVANCED INORGANIC CHEMISTRY QUIZ 4 November 29, 2012 INSTRUCTIONS: PRINT YOUR NAME > NAME.
ADVANCED INORGANIC CHEMISTRY QIZ 4 November 29, 2012 INSTRCTIONS: PRINT YOR NAME > NAME. WORK all 4 problems SE THE CORRECT NMBER OF SIGNIFICANT FIGRES YOR SPPPLEMENTAL MATERIALS CONTAIN: A PERIODIC TABLE
More information5.03 In-Class Exam 2
5.03 In-Class Exam 2 Christopher C. Cummins March 12, 2010 Instructions Clearly write your name at the top of this front page, but otherwise do not write on this front page as it will be used for scoring.
More informationChem 634, Assignment 2 Due Tuesday, February 27, 2018
Chem 634, Assignment Due Tuesday, February 7, 018 The following two questions were given on the January 018 cumulative eam. They are not assigned here, but you should be able to fully answer them for study
More informationPerhaps the most striking aspect of many coordination compounds of transition metals is that they have vivid colors. The UV-vis spectra of
1 Perhaps the most striking aspect of many coordination compounds of transition metals is that they have vivid colors. The UV-vis spectra of coordination compounds of transition metals involve transitions
More informationInorganic Chemistry with Doc M. Day 19. Transition Metals Complexes IV: Spectroscopy
Inorganic Chemistry with Doc M. Day 19. Transition Metals Complexes IV: Spectroscopy Topics: 1. The visible spectrum and the d-orbitals 3. Octahedral fields 2. Term symbols and the method of microstates
More informationChapter 10: Chemical Bonding II: Molecular Shapes; VSEPR, Valence Bond and Molecular Orbital Theories
C h e m i s t r y 1 A : C h a p t e r 1 0 P a g e 1 Chapter 10: Chemical Bonding II: Molecular Shapes; VSEPR, Valence Bond and Molecular Orbital Theories Homework: Read Chapter 10: Work out sample/practice
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 informationChapters 9&10 Structure and Bonding Theories
Chapters 9&10 Structure and Bonding Theories Ionic Radii Ions, just like atoms, follow a periodic trend in their radii. The metal ions in a given period are smaller than the non-metal ions in the same
More informationChapter 10 Chemical Bonding II
Chapter 10 Chemical Bonding II Valence Bond Theory Valence Bond Theory: A quantum mechanical model which shows how electron pairs are shared in a covalent bond. Bond forms between two atoms when the following
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 informationChapter 6 Molecular Structure
hapter 6 Molecular Structure 1. Draw the Lewis structure of each of the following ions, showing all nonzero formal charges. Indicate whether each ion is linear or bent. If the ion is bent, what is the
More informationCrystal Field Theory
Crystal Field Theory It is not a bonding theory Method of explaining some physical properties that occur in transition metal complexes. Involves a simple electrostatic argument which can yield reasonable
More informationDetermining the Normal Modes of Vibration
Determining the ormal Modes of Vibration Introduction vibrational modes of ammonia are shown below! 1 A 1 ) symmetric stretch! A 1 ) symmetric bend! 3a E) degenerate stretch Figure 1 Vibrational modes!
More informationCHAPTER 9 COVALENT BONDING: ORBITALS 323
APTER 9 OVALET BODIG: ORBITALS 323 2 3 2 2 2 3 3 2 2 3 2 3 O * * 2 o; most of the carbons are not in the same plane since a majority of carbon atoms exhibit a tetrahedral structure (19.5 bond angles).
More informationNuclear Quadrupole Resonance Spectroscopy. Some examples of nuclear quadrupole moments
Nuclear Quadrupole Resonance Spectroscopy Review nuclear quadrupole moments, Q A negative value for Q denotes a distribution of charge that is "football-shaped", i.e. a sphere elongated at the poles; a
More informationL L Ch112 Problem Set 3 Due: Thursday, October 22 before class. Problem 1 (3 points)
Problem 1 (3 points) Part A. In problem set 2, the π-system of bicyclo[2.2.2]octa-2,5,7-triene was analyzed. 1. Starting from the MO diagram of the π-system of barrelene, show how the energy of each molecular
More informationMolecular Geometry and Bonding Theories. Chapter 9
Molecular Geometry and Bonding Theories Chapter 9 Molecular Shapes CCl 4 Lewis structures give atomic connectivity; The shape of a molecule is determined by its bond angles VSEPR Model Valence Shell Electron
More informationUnit 11 Instrumentation. Mass, Infrared and NMR Spectroscopy
Unit 11 Instrumentation Mass, Infrared and NMR Spectroscopy Spectroscopic identification of organic compounds Qualitative analysis: presence but not quantity (i.e. PEDs) Quantitative analysis: quantity
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 information5.04, Principles of Inorganic Chemistry II MIT Department of Chemistry Lecture 29: Weak and Strong Field Approximations
5.4, Principles of Inorganic Chemistry II MIT Department of Chemistry ecture 9: Weak and Strong Field Approximations Weak Field In the weak field, the e - energies arreater than the e - energies, i.e.
More informationThe symmetry properties & relative energies of atomic orbitals determine how they react to form molecular orbitals. These molecular orbitals are then
1 The symmetry properties & relative energies of atomic orbitals determine how they react to form molecular orbitals. These molecular orbitals are then filled with the available electrons according to
More information4) protons experience a net magnetic field strength that is smaller than the applied magnetic field.
1) Which of the following CANNOT be probed by an NMR spectrometer? See sect 15.1 Chapter 15: 1 A) nucleus with odd number of protons & odd number of neutrons B) nucleus with odd number of protons &even
More informationChemistry 2000 Lecture 1: Introduction to the molecular orbital theory
Chemistry 2000 Lecture 1: Introduction to the molecular orbital theory Marc R. Roussel January 5, 2018 Marc R. Roussel Introduction to molecular orbitals January 5, 2018 1 / 24 Review: quantum mechanics
More information$ +! j. % i PERTURBATION THEORY AND SUBGROUPS (REVISED 11/15/08)
PERTURBATION THEORY AND SUBGROUPS REVISED 11/15/08) The use of groups and their subgroups is of much importance when perturbation theory is employed in understanding molecular orbital theory and spectroscopy
More informationElectronic Microstates & Term Symbols. Suggested reading: Shriver and Atkins, Chapter 20.3 or Douglas,
Lecture 4 Electronic Microstates & Term Symbols Suggested reading: Shriver and Atkins, Chapter 20.3 or Douglas, 1.4-1.5 Recap from last class: Quantum Numbers Four quantum numbers: n, l, m l, and m s Or,
More informationChapter 9. Chemical Bonding II: Molecular Geometry and Bonding Theories
Chapter 9 Chemical Bonding II: Molecular Geometry and Bonding Theories Topics Molecular Geometry Molecular Geometry and Polarity Valence Bond Theory Hybridization of Atomic Orbitals Hybridization in Molecules
More information