(a)
Interpretation:
The relative energies of the
Concept introduction:
Hückel theory deals with the conjugated systems. In this theory, the
(b)
Interpretation:
The relative energies of the
Concept introduction:
Hückel theory deals with the conjugated systems. In this theory, the
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Student Solutions Manual for Ball's Physical Chemistry, 2nd
- What is the maximum possible degree of degeneracy of the orbitals in 1,4-dichlorobenzene?arrow_forwardUse as a basis the 2pz orbitals on each atom in BF3 to find the representative of the operation σh. Take z as perpendicular to the molecular plane.arrow_forward(A)Write the Hückel Hamiltonian matrix for benzene. (B)The pictures below represent a top view of the 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)arrow_forward
- Write the valence-bond wavefunction for the triple bond in N2.arrow_forwardElectronic excitation of a molecule may weaken or strengthen some bonds because bonding and antibonding characteristics differ between the HOMO and the LUMO. For example, a carbon–carbon bond in a linear polyene may have bonding character in the HOMO and antibonding character in the LUMO. Therefore, promotion of an electron from the HOMO to the LUMO weakens this carbon–carbon bond in the excited electronic state, relative to the ground electronic state. Consult Figs. 9E.2 and 9E.4 and discuss in detail any changes in bond order that accompany the π*←π ultraviolet absorptions in butadiene and benzene.arrow_forward(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)arrow_forward
- 9A.2 Write the valence bond wavefunction of the o bond in a C-H group of a molecule.arrow_forwardSuppose that a molecular orbital of a heteronuclear diatomic molecule is built from the orbital basis ψA, ψB, and ψC, where ψB and ψC are both on one atom (they can be envisaged as F2s and F2p in HF, for instance). Set up the secular equations for the optimum values of the coefficients and set up the corresponding secular determinant.arrow_forward(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 α, β and S?arrow_forward
- Construct the wavefunction of the π MO from the 2pz atomic orbitals perpendicular to the plane of the C atoms. How many π MO result from the available 2pz A.O.?arrow_forwardCalculate the wavelength pf light that is absorbed when a n electron in the molecule CH2=CH-CH=CH-CH=CH-CH=CH-CH=CH2 is promoted from the HOMO to the LUMO. The average bond length can be taken to be 144 pm. SHOW ALL YOUR WORK, INCLUDING HOW YOU CHOSE THE HOMO AND LUMO.arrow_forwarddarrow_forward
- Physical ChemistryChemistryISBN:9781133958437Author:Ball, David W. (david Warren), BAER, TomasPublisher:Wadsworth Cengage Learning,General Chemistry - Standalone book (MindTap Cour...ChemistryISBN:9781305580343Author:Steven D. Gammon, Ebbing, Darrell Ebbing, Steven D., Darrell; Gammon, Darrell Ebbing; Steven D. Gammon, Darrell D.; Gammon, Ebbing; Steven D. Gammon; DarrellPublisher:Cengage LearningPrinciples of Modern ChemistryChemistryISBN:9781305079113Author:David W. Oxtoby, H. Pat Gillis, Laurie J. ButlerPublisher:Cengage Learning