The overlap integral between ls atomic orbitals in atoms A and B of a heteronuclear molecule is S = 0.43. A MO-LCAO calculation for the molecule shows that one of the molecular orbitals has the form $(1) 0.223 1sA(1) – 0.877 1sg(2) . Find the normalization constant N for ø. What are the coefficients a and b of the corresponding normalized molecular orbital v(1) = a 1sa(1) + b1sB(2) .

The overlap integral between ls atomic orbitals in atoms A and B of a heteronuclear molecule is S = 0.43. A MO-LCAO calculation for the molecule shows that one of the molecular orbitals has the form $(1) 0.223 1sA(1) – 0.877 1sg(2) . Find the normalization constant N for ø. What are the coefficients a and b of the corresponding normalized molecular orbital v(1) = a 1sa(1) + b1sB(2) .

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

Chapter20: Molecular Spectroscopy And Photochemistry

Section: Chapter Questions

Problem 42P

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