Evaluate the energy for two MO's generated by combining an H 1s atomic orbital with a F 2p atomic orbital. Use theequation:12–252[H,1[H+H»- 2SH2]±2-2s?+ 4H, + H, -4SH„H„ -2H(H, +2SH, – 28²H,)|Carry out the calculation for S = 0.1, 0.2, and 0.6 to mimic the effect of decreasing the atomic separation in themolecule. Use the parameters: H,,= -13.6 ev, H22 = -18.6 eV, and H,2 = -1.75S H11H22 .

Molecular orbitals (MO's): When atomic orbitals (σ,π ) through a linear combination of atomic…

Evaluate the energy for two MO's generated by combining an H 1s atomic orbital with a F 2p atomic orbital. Use the equation: 1 2-28:|Hu+H»-2SH2 ]±,2\Hi + 4H, + H, – 4SH,„H„–2H,(H,+2SH,2 – 28°H,, 1 Carry out the calculation for S = 0.1, 0.2, and 0.6 to mimic the effect of decreasing the atomic separation in the molecule. Use the parameters: H,= -13.6 eV, H22 = -18.6 eV, and H,2 = -1.75S/H11H22.

Evaluate the energy for two MO's generated by combining an H 1s atomic orbital with a F 2p atomic orbital. Use the equation: 1 2-28:|Hu+H»-2SH2 ]±,2\Hi + 4H, + H, – 4SH,„H„–2H,(H,+2SH,2 – 28°H,, 1 Carry out the calculation for S = 0.1, 0.2, and 0.6 to mimic the effect of decreasing the atomic separation in the molecule. Use the parameters: H,= -13.6 eV, H22 = -18.6 eV, and H,2 = -1.75S/H11H22.

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 39P: The photoelectron spectrum of HBr has two main groups of peaks. The first has ionization energy...

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