Consider trimethylenemethane below (note: it has four π electrons): (a) Calculate the Huckel MO energy levels. (b) Determine and sketch the corresponding MO wave functions for each energy values. Show that without resorting to the symmetry-based method, it is not possible to obtain all the MO coefficients. (c) Calculate the electron densities of the inner and outer carbons and the relevant bond orders.

Consider trimethylenemethane below (note: it has four π electrons): (a) Calculate the Huckel MO energy levels. (b) Determine and sketch the corresponding MO wave functions for each energy values. Show that without resorting to the symmetry-based method, it is not possible to obtain all the MO coefficients. (c) Calculate the electron densities of the inner and outer carbons and the relevant bond orders.

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 6P: Explain why 1g is the ground state for H2+ . By combining your answer with the answer to Problem 5,...

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