Tufts, PHY 13
Excerpt: ... Tufts OpenCourseWare Lecture 15: Diatomic Molecule s 2007 Tufts University 1. Physics 13: Molecules - H2 2. NaCl OCW: Introduction to Modern Physics (G. Goldstein) Page - 1 Tufts OpenCourseWare Lecture 15: Diatomic Molecule s 2007 Tufts University 3. NaCl U(r) 4. NaCl calculation OCW: Introduction to Modern Physics (G. Goldstein) Page - 2 Tufts OpenCourseWare Lecture 15: Diatomic Molecule s 2007 Tufts University 5. Covalent bond I 6. Covalent bond II OCW: Introduction to Modern Physics (G. Goldstein) Page - 3 Tufts OpenCourseWare Lecture 15: Diatomic Molecule s 2007 Tufts University 7. Covalent bond III 8. Covalent bond IV OCW: Introduction to Modern Physics (G. Goldstein) Page - 4 Tufts OpenCourseWare Lecture 15: Diatomic Molecule s 2007 Tufts University 9. Covalent bond V 10. Covalent vs. Ionic Bond OCW: Introduction to Modern Physics (G. Goldstein) Page - 5 Tufts OpenCourseWare ...
Washington, CHEM 475
Excerpt: ... Chemistry 475 Reinhardt and Cooksey Autumn 2001 Set 18 due Monday, Nov 26th NOTE this assignment is from McQ and Simon Physical Chemistry not McQ Quatnum Chemistry. In McQuarrie and Simon Read Chapter 13, pp 495 to 504. This discusses the spectrum of a vibrating and rotating diatomic molecule . This will be the subject of lecture on Wednesday Nov 21. Homework set #18 is based on this reading. WORK problems 13-10 and 13-12 from McQuarrie and Simon ...
W. Alabama, CHEM 256
Excerpt: ... Chemistry 256 Problem set No. 9; due Monday, Nov. 15, in class Reading: Chapter 9. Chapter 9 discusses bonding in diatomic molecule s; the following chapter deals with polyatomic molecules. The treatment of simple diatomics such as H2 resembles He, while the discussion for first-row diatomics parallels the filling of atomic orbitals. We identify approximate wavefunctions, now molecular orbitals (MOs) that are linear combinations of atomic orbitals, and relate bonding or antibonding properties with overlap in the internuclear region. The axial symmetry of diatomics leads to different, and simpler, term symbols. Once again, we review topics from general chemistry. The SCF and other quantitative results illustrate how simple arguments compare to full calculations. Problems: 1. MS 9.8 2. MS 9.10 3. MS 9.12 4. MS 9.17 5. MS 9.25 6. MS 9.31 NOTE: The second midterm test (120 min) is on Tuesday, Nov. 16, at 7.30-9.30 PM. The material covered is Chapters 6-9 and lecture notes. Please review Ch. 4 and 5, since QM and ...
High Point, PHY 221
Excerpt: ... Quantum Oscillators and Diatomic Molecule s Objective: To describe a quantum harmonic oscillator; to calculate the vibrational energy in a quantum oscillator; to calculate the energy of a photon absorbed or emitted by a quantum oscillator; to describe the types of energy of a diatomic molecule and what the spectrum and absorption spectra for a diatomic molecule would look like. Review We have studied a classical harmonic oscillator, basically a ball connected to a spring. The total energy of the system is E = K + U = K + 1/2ks2 + U0 (1) However, if it is a closed system, the kinetic energy and potential are related. When the spring is most stretched, the balls kinetic energy is zero. At this point, E = 1/2 k A2 + U0 where A is called the amplitude which is the greatest amount the spring is stretched. Since the total energy doesnt change (i.e. closed system), then the energy is constant at every point. Any total energy is allowed for a given spring, just choose a dierent amplitude ...
UMass (Amherst), CHEM 121
Excerpt: ... Chapter 16 Lecture Worksheet 1 A. Define the term: homonuclear diatomic molecule . Give an example _ A molecule containing two atoms of the same element. Examples: O2, N2, H2 B. Give an example of a heteronuclear diatomic molecule . HF C. B2 has 2 unpaired electrons. (Be sure that you can sketch the correlation diagram and label the yaxis and the atomic and molecular orbitals.) D. The bond order for B2 is _ PRS Answers: 0 = 0, 1 = 1, 2 = 2, 3 = 3, 4 = , 5 = 1 , 6 = 2 E. You would expect the bond in B2 to be 1. Stronger 2. Weaker F. Write the complete electron configuration for B2 . (1s)2(*1s)2 (2s)2(*2s)2 (2p)2 G. Using MO theory you would predict C2 to be 1. Paramagnetic 2. Diamagnetic. Add two more electrons above, fill all orbitals. than the bond in B2 . H. Draw Lewis structures for N2 and O2 :NN: :O=O: I. Based on your Lewis structures you would predict O2 to be 1. Paramagnetic 2. Diamagnetic. J. Sketch the correlation diagram for N2. K. Sketch the co ...
East Los Angeles College, PX 407
Excerpt: ... Lecture 13: Diatomic Molecule s 13-1 Diatomic Molecule s Now we point the way to generalizing the results that we have seen for the hydrogen molecule-ion, in two ways: how to handle more than one electron, and how higher atomic orbitals combine into molecular orbitals. Spin pairing Orbital overlap The Hckel approximation u Ref: Atkins, p248258, 267. PX407 Quantum Physics II c M P Allen 2003 Lecture 13: Diatomic Molecule s 13-2 The H2 molecule The H2 molecule has 2 electrons Fill molecular orbitals with electrons, just as for atomic orbitals. = space is a product of 1 molecular orbitals for each electron. 2 electrons with paired spins occupy space space = to relabelling 1 2 spin is a product of | spin = Hence is = and | = states for each electron. 12 PX407 Quantum Physics II c M P Allen 2003 Lecture 13: Diatomic Molecule s 13-2 The H2 molecule The H2 molecule has 2 electrons Fill molecular orbitals with electrons, just as for atomic orbitals. = space spin spac ...
Sveriges lantbruksuniversitet, C 120
Excerpt: ... Today's Lecture Covalent Bonding: Orbitals 14.3 Bonding in Homonuclear Diatomic Molecule s 14.4 Bonding in Heteronuclear Diatomic Molecule s 14.5 Combining the LE and MO Models 1 More Homonuclear Diatomic Molecule s consider B2 the boron atom has a 1s22s22p1 electron configuration (i.e. valence 2s and 2p atomic orbitals can participate in MO formation) we've already looked at the formation of MOs from 2s atomic orbitals [combination of 2s atomic orbitals of each B gives MOs (one bonding and one antibonding)] what about the MOs from the combination of p orbitals? this gives both and type MOs - bonding and antibonding note that for now we'll assume that the 2s and the 2p atomic orbitals do not mix 2 1 1 Overlap of p Orbitals two boron atoms with three mutually perpendicular 2p orbitals Fig. 14.35 MO MOs - electron probability lies above and below the plane between the nuclei 3 MOs from p Orbital Overlap Fig. 14.36 also another bonding and antibonding MO from 4 combination of the pz orbital of each ...
Laurentian, CHEM 200803
Excerpt: ... Chemistry 2000 (Fall 2008) Problem Set #1: Molecular Orbital Theory and Diatomic Molecule s Reading (Petrucci text) Chapter 11 Sections 11.1, 11.5 Please note that the textbook uses a convention for naming MOs based on the AOs from which they were formed (e.g. 1s, *1s, 2s, *2s, 2p, 2p, etc.) We prefer the more global convention that does not reference the AOs (e.g. 1, 1*, 2, 2*, 3, 1, etc.). Also, note that there are errors in the textbooks discussion of the MOs of CO on pages 446-447. Please see your lecture notes regarding that topic. Textbook Questions Chapter 11 #27 36, 55, 56*, 64, 67 * The focus of question 56 is on the peroxide and superoxide ions. The potassium is simply a counterion and does not enter the MO picture. Additional Practice Problems 1. Draw the potential energy curve for a diatomic molecule . Clearly label the bond dissociation energy and equilibrium bond length on your drawing. 2. (a) (b) 3. (a) (b) (c) (d) (e) (f) (g) (h) (i) Two 3d orbitals can o ...
East Los Angeles College, PX 407
Excerpt: ... Lecture 13: Diatomic Molecule s 13-1 Diatomic Molecule s Now we point the way to generalizing the results that we have seen for the hydrogen molecule-ion, in two ways: how to handle more than one electron, and how higher atomic orbitals combine into molecular orbitals. Spin pairing Orbital overlap The Hckel approximation u Ref: Atkins, p248258, 267. PX407 Quantum Physics II Lecture 13: Diatomic Molecule s c M P Allen 2003 13-2 The H2 molecule The H2 molecule has 2 electrons Fill molecular orbitals with electrons, just as for atomic orbitals. = space is a product of 1 molecular orbitals for each electron. 2 electrons with paired spins occupy space space = to relabelling 1 2 spin is a product of | spin = Hence is = and | = states for each electron. 12 PX407 Quantum Physics II c M P Allen 2003 Lecture 13: Diatomic Molecule s 13-3 The H2 molecule Bonding and antibonding orbitals result. LCAO bonding orbital: Rmin Emin ...
Arizona, CHEM 481
Excerpt: ... and wish to interpret their electronic properties using the free electron mode. The ground-state wavefunction for a particle in a one-dimensional box of length L is: (x) = For retinal assume that the box is 10.0 nm long. 2 x sin L L a) Calculate the probability that the particle is between x = 4.95 nm and 5.05 nm: b) Calculate the probability that the particle is between x = 1.95 nm and 2.05 nm: c) Calculate the probability that the particle is between x = 9.90 and 10.00 nm: d) Calculate the probability that the particle is in the right half of the box: e) Calculate the probability that the particle is in the central third of the box: Problem 4. You are an astrobiologist interested in the origins of life. Consider the following diatomic molecule s, whose vibrational frequencies are indicated in wavenumbers: diatomic molecule H127I H35Cl H81Br vibrational frequency ( ~ / cm1) 2310 2990 2650 a) Calculate the force constant for hydroiodic acid, H127I: b) Calculate the force constant for hydrochlori ...
Michigan State University, CEM 181
Excerpt: ... Learning Objectives-11/3 You should: 1. understand and be able to explain the basic principles underlying LCAO-MO Theory. 2. understand the physical significance of the potential energy curve for chemical bonds. 3. know how to sketch the MOs resulting from linear combination of pairs of atomic orbitals and identify the type of MO formed (, , ; bonding or antibonding). 4. be able to write electron configurations for homonuclear diatomic molecule s, which requires knowledge of the filling order and application of the Aufbau Principle, Hund's Rule, and the Pauli Exclusion Principle. 5. be prepared to draw MO energy-level diagrams for homonuclear diatomic molecule s and calculate bond order. CEM 181H-Lecture 19 1 of 7 Probability Density for the Bonding and Antibonding Wave Functions for H2+ CEM 181H-Lecture 19 2 of 7 Potential Energy Surfaces for the Bonding and Antibonding States for H2+ nuclear repulsion nuclear repulsion net net electron attraction electron attraction CEM 181H-Lecture 19 3 of 7 ...
Washington, CHEM 475
Excerpt: ... Chemistry 475 Reinhardt and Cooksey Autumn 2001 No homework due Wednesday the 21sthave a good holiday! Assignments and Sets 19 (repeated) and 20. Set 19 due Monday, Nov 26th NOTE this assignment is from McQ and Simon Physical Chemistry not McQ Quantum Chemistry. In McQuarrie and Simon Read Chapter 13, pp 495 to 504. This discusses the spectrum of a vibrating and rotating diatomic molecule . This will be the subject of lecture on Wednesday Nov 21. Homework set #19 is based on this reading. WORK problems 13-10 and 13-12 from McQuarrie and Simon NOW back to McQ, quantum Chemistry Assignment 20: Read McQ Ch 6 Sections 6-8 through 6-10 on the H atom. Review the discussions on spherical harmonics as needed. We will be discussing these extensively, again. A good summary appears in Tables 6-5 (page 224) and in Table 6-6 on page 238be sure to understand what is going on here! The functions in Table 6-5 are simultaneous eigenfunctions of H, L2 an Lz, while those of 6-6 are their real linear co ...
Maple Springs, EATS 4230
Excerpt: ... EATS 4230 Remote Sensing of the Atmosphere Lecture Notes Set 4 Basic Spectroscopy of Atmospheric Molecules (continued) The description given so far for the pure rotational spectra of diatomic molecule s is a bit over simplified. First complication is that as molecules spin faster and faster (higher J) they tend to stretch under the centrifugal force. As the internuclear separation `r' increases, the moment of inertia `I' increases and therefore for the same total angular momentum (i.e. the same J) the actual rotational energy is less than it would be without stretching. Therefore a more accurate description of the rotational energy levels of a diatomic molecule is: Erot (cm-1) = BJ (J+1) DJ2 (J+1) 2 cm-1 Where D is the Centrifugal Distortion Constant (cm-1) which has a value that depends on the rigidity of the molecule and other molecular parameters. Typically D has a value ~10-3 B The impact of this on the rotational energy levels and pure rotation spectra is illustrated in Fig. 4.1 Fig 4.1 For molecules ...
Syracuse, CHE 107
Excerpt: ... ton Mifflin Company.All rights reserved. Presentation of Lecture Outlines, 1014 Molecular Orbital Theory Valence bond theory does extremely well for most simple molecules. However, there are certain complex molecules for which a more complete theory, called "Molecular Orbital Theory", works much better. Even for diatomics such as O2, there are significant problems with valence bond theory that molecular orbital theory can fix easily. The main problems have to do with the prediction of magnetic properties, and specifically the presence of paramagnetism in diatomic molecule s with a total of 12 valence electrons (such as O2). Copyright Houghton Mifflin Company.All rights reserved. Presentation of Lecture Outlines, 1015 Molecular Orbital Theory Diatomics with a total of 12 valence electrons would be predicted to have electron-dot structures with a double bond (4 valence electrons) and 2 lone pairs on each of the 2 atoms (for a total of 8 electrons in lone pairs). All of the electron ...