a) Which molecule is expected to have a higher ionization energy, CO or FO? Base your answer on MO energy diagrams of these molecules. The ionization energies of C, O, and F are 11.3, 13.6, and 17.4 eV. b) Write down the LCAO-MO wavefunction for the lowest unoccupied molecular orbital of FO. Draw a picture of this orbital. Note that "unoccupied" means totally unoccupied, or empty

a) Which molecule is expected to have a higher ionization energy, CO or FO? Base your answer on MO energy diagrams of these molecules. The ionization energies of C, O, and F are 11.3, 13.6, and 17.4 eV. b) Write down the LCAO-MO wavefunction for the lowest unoccupied molecular orbital of FO. Draw a picture of this orbital. Note that "unoccupied" means totally unoccupied, or empty

Principles of Modern Chemistry

8th Edition

ISBN:9781305079113

Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler

Chapter6: Quantum Mechanics And Molecular Structure

Section: Chapter Questions

Problem 67AP: The B2 molecule is paramagnetic; show how this indicates that the energy ordering of the orbitals in...

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The MO of the ground state of a heteronuclear diatomicmoleculeAB is mol=CAA+CBB If a bonding electron spends 90% of its time in an orbital A on atom A and 10% of its time in B on atom B, what are the values of CA and CB ? (Neglect the overlap of the two orbitals.)
The photoelectron spectrum of HBr has two main groups of peaks. The first has ionization energy 11.88 eV. The next peak has ionization energy 15.2 eV, and it is followed by a long progression of peaks with higher ionization energies. Identify the molecular orbitals corresponding to these two groups of peaks.
The molecular orbital diagram of NO shown in Figure 10.47 also applies to OF. Draw the complete molecular orbital diagram for OF. What is the OF bond order? Figure 10.47 Molecular orbital diagram for nitric oxide (NO). The molecular orbital diagram for NO predicts a bond order of 2.5 and predicts that the molecule is paramagnetic with one unpaired electron. These predictions are verified by experimental measurements.
Following the pattern of Figure 6.21, work out the correlation diagram for the BeN molecule, showing the relative energy levels of the atoms and the bonding and antibonding orbitals of the molecule. Indicate the occupation of the MOs with arrows. State the order of the bond and comment on the magnetic properties of BeN.
Consider a N2 molecule in its first excited electronic state. (a) Identify the molecular orbitals involved and sketch a diagram to show the transition (b) Compare the bond order and bond length of N2* with N2, where the asterisk denotes the excited molecule. (c) Is N2* diagmagnetic or paramagnetic? (d) When N2* loses its excess energy and converts to the ground state N2, it emits a photon of wavelength 470 nm. Calculate the energy difference between these levels. thank you so much
4. Molecular Orbital Theory Let's construct an MO diagram for KrBr*, the krypton bromide cation. Let's focus only on the n=4 valence shell in for both species. a) Which of the two atoms, Kr or Br, has a 4p electrons that are lower in energy? Justify your answer in terms of periodic trends. Also provide experimental evidence for your answer in terms of ionization energies (available online). b) Based on part (a), draw an MO diagram for KrBr*, reflecting the appropriate relative energies of the Kr/Br valence electrons. Connect the orbitals that mix/split with dashed lines. c) Populate the MO diagram with the appropriate number of valence electrons. What is the expected bond order?
a.) Sketch for yourself the MO diagram for the following three heteronuclear diatomic species. Give the bond order of: CO, NO, CN^- b.) Sketch for yourself the molecular orbital energy level diagram for KrF and deduce its ground state electron configurations. Is KrF likely to have a shorter or longer or same bond length as KrF+?
An energy level scheme for the orbitals of second row diatomic molecules O, through Ne2 , lists the molecular orbitals in the following order of increasing energy 02 < o'2s < Ozp(z) < T2p(y)- 7T2P(x) < T*2p(y), 7T* 2p(x) < o*2plz) Based on this energy level scheme, how many electrons are there in all of the antibonding molecular orbitals of the F2* ion in its ground state?
The diagram that follows shows the highest-energy occupiedMOs of a neutral molecule CX, where element X is in thesame row of the periodic table as C. (a) Based on the numberof electrons, can you determine the identity of X? (b) Wouldthe molecule be diamagnetic or paramagnetic? (c) Considerthe π2p MOs of the molecule. Would you expect them to havea greater atomic orbital contribution from C, have a greateratomic orbital contribution from X, or be an equal mixtureof atomic orbitals from the two atoms?
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(A)Write the Hückel Hamiltonian matrix for benzene. (B) The pictures below represent a top view of the π molecular orbitals for benzene. They are labeled from A to F, in no order. Place the labels A, B, C, etc., in the boxes according to their energy. SHOW THE NODES. (B)
(b) Construct a valence MO diagram for the pi bonding in the trigonal planar molecule BF3; to simplify the problem, you should only use the 2pz orbitals on the F atoms.