Consider the ClO4 – anion. Use symmetry analysis to determine the orbitals used in bonding by the central atom. (a) As a consequence of the multiple Cn axes with n > 2, the pi bonding cannot be separated into perpendicular and parallel components as was done with SO3. Rather these orbitals must be operated on together, an inseparable pair.

Consider the ClO4 – anion. Use symmetry analysis to determine the orbitals used in bonding by the central atom. (a) As a consequence of the multiple Cn axes with n > 2, the pi bonding cannot be separated into perpendicular and parallel components as was done with SO3. Rather these orbitals must be operated on together, an inseparable pair.

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 26P: Following the pattern of Figure 6.21, work out the correlation diagram for the BeN molecule, showing...

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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.
(c) An octahedral cluster molecule E6 in Oh point symmetry can be formed without a central atom and is bonded together using the six s and eighteen p orbitals on the six atoms. Each vertex comprises a sp hybrid orbital (radial) pointing into the cluster, and two p orbitals (tangential) at right angles to each other and to the centre of the cluster (see figure below). These are the same as the ligand orbitals used in o- and x-bonding in octahedral transition metal complexes. The bonding overlaps between these orbitals are shown below in A, B and C, and two of these are each part of a triply degenerate set and the other is singly degenerate - remember in O₂ symmetry x, y and z are degenerate. E E E E two tangential p orbitals B The reducible representation for these bonding orbitals is: radial sp orbital Oh E 8C 6C₂ 6C 3C₂ i 684 8S6 30h Ibonding 7 1 -1 1 -1 1 1 11 (i) Determine the three irreducible representations for the orbitals that contribute to cluster bonding to form the seven…
use vsepr rules to determine the shapes of each of the following species. then establish their rotation axes and mirror planes and hence identify the point group to which they belong. hint: constructing a molecular model will help (a) phosphine, ph3; (b) the carbonate ion, co3^2-; (c) the sulfate ion, so4^2-; (d) the hexafluorophosphate ion, pf 6-
For each of these contour representations of molecular orbitals,identify (a) the atomic orbitals (s or p) used to constructthe MO (b) the type of MO (π or σ), (c) whether the MO isbonding or antibonding, and (d) the locations of nodalplanes.
Consider the following species: CN, CN. ΝΟ, NF (a) Represent the bonding with a well-labuued molecular orbital (MO) diagram in each case. (b) Predict the bond order and magnetic property in each case. (c) Compare their expected bond lengths and their relative stability (towards dissociation). Give your reasoning.
6) Given below are the molecule BH3, its character table, and its molecular orbital diagram. By convention, the z-axis lies along the principal rotation axis: (a) What Mulliken symbol represents the symmetry of the MOs I-V? (b) Which of the given atomic orbitals on boron would match the MOS I-V? (c) Depict the in-phase (bonding) and out-of-phase (anti-bonding) of these MOS. B 2p orbitals B 2s orbitals II H 2s orbitals D₂ A, A₂' A," E" 1 1 2 1 1 2 2C, 3C₂ 0₂ 25, 1 1 1 1 1 -1 1 -1 1 -1 0 1 2 -1 -1 30, 1 1 -1 R₂ -1 0 -1 -1 -1 1 1 0 (x, y) (R., R.) x+y²,2² (x²-y, xy) (xz, yz)
(c) In the construction of molecular orbital diagram involving a hypervalence system of hexafluoro sulphur, only 12 valence electrons are distributed across the molecular orbitals. Explain why this is so? (4) (d) In the formation of CO, the 2s orbital from C and 2p orbital from 0 could also participate in the formation of o molecular orbital. Explain why this is possible? (4)
(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.
TOPIC: QUANTUM, ATOMIC AND MOLECULAR PHYSICIS (a) Using Hückel's method, describe the energy of the molecular orbitals T of cyclobutadiene C4H4, which is a flat molecule made up of a square ring of carbons, as shown in the figure; (b) Do the same for 1,3-butadiene C4H6, which is an elongated planar molecule, as shown in the figure. (c) In both cases, draw an energy diagram indicating the filling of the orbitals and identifying the HOMO and the LUMO. Sketch by hand schematically (using two colors to distinguish the lobes from the 2pz orbitals) the result obtained for the orbitals, identifying them with the corresponding energy. If possible, you can use the Orbital Viewer program to plot the orbitals.
4. (a) Use the simple one-electron molecular orbital method, including overlap, to calculate the energies of the molecular orbitals of the hydrogen molecule (H₂) in terms of a, ß and S? (b) Calculate & given that a = -13.6 eV, that S = 0.6, and that the lowest UV absorption energy is 12 eV. (c) Determine the ionisation energy of the bonding molecular orbital in H₂ ? [6 marks]
2. For the following molecules, name the idealized VSEPR geometry and assign the point group: (a) GeH₂D₂ (D = deuterium, is distinguishable from hydrogen); (b) AsF5; (c) C₂H₂; (d) [BrF4]; (e) SO₂Cl2.
For each of these contour representations of molecular orbitals,identify (a) the atomic orbitals (s or p) used to constructthe MO (b) the type of MO (s or p), (c) whether the MO isbonding or antibonding, and (d) the locations of nodalplanes.