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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It has been suggested that a compound of formulaC12B24N24 might exist and have a structure similar to thatof C60 (buckminsterfullerene).(a) Explain the logic of this suggestion by comparing thenumber of valence electrons in C60 and C12B24N24.(b) Propose the most symmetric pattern of carbon, boron,and nitrogen atoms in C12B24N24 to occupy the 60 atomsites in the buckminsterfullerene structure. Where couldthe double bonds be placed in such a structure?
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(1) (a) Draw an energy level diagram showing the ground state electronic struc- ture of each of the following diatomics: H₂, N2, O2, F2, and Ne₂. (b) Use the above diagram to predict the bond order of each of these diatomics. (c) Use the same procedure to predict the bond order of C and O
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