1. Use a group theoretical approach to propose a molecular orbital scheme for the electron network of trimethylenemethane. Trimethylenemethane has a planar, D3 3h, structure. H₂C =CH₂ a. Using the three 2p, orbitals on the terminal C atoms as a basis, generate a reducible representation. Note that the z-axis is perpendicular to the plane of the page. Reduce this representation to its component irreducible representations. You should end up H₂C with one non-degenerate irreducible representation and one doubly degenerate irreducible representation. - b. Use projection operators to project out the appropriate linear combinations of the basis orbitals to make reasonable SALCs. To obtain the non-degenerate SALC, use the projection operator on Q₁. For the doubly degenerate pair, one SALC can be obtained by using the appropriate projection operator on ₁. The second can be obtained by using the appropriate projection operator on (9₂ 93). Sketch the resulting SALCs. c. Sketch the four molecular orbitals. You will get one bonding MO, one antibonding MO and two non-bonding MOS. d. Sketch a plausible MO diagram for the species. Place the proper number of electrons in the diagram. One resonance structure of trimethylenemethane is shown.
1. Use a group theoretical approach to propose a molecular orbital scheme for the electron network of trimethylenemethane. Trimethylenemethane has a planar, D3 3h, structure. H₂C =CH₂ a. Using the three 2p, orbitals on the terminal C atoms as a basis, generate a reducible representation. Note that the z-axis is perpendicular to the plane of the page. Reduce this representation to its component irreducible representations. You should end up H₂C with one non-degenerate irreducible representation and one doubly degenerate irreducible representation. - b. Use projection operators to project out the appropriate linear combinations of the basis orbitals to make reasonable SALCs. To obtain the non-degenerate SALC, use the projection operator on Q₁. For the doubly degenerate pair, one SALC can be obtained by using the appropriate projection operator on ₁. The second can be obtained by using the appropriate projection operator on (9₂ 93). Sketch the resulting SALCs. c. Sketch the four molecular orbitals. You will get one bonding MO, one antibonding MO and two non-bonding MOS. d. Sketch a plausible MO diagram for the species. Place the proper number of electrons in the diagram. One resonance structure of trimethylenemethane is shown.
Chemistry
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ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
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Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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Transcribed Image Text:1. Use a group theoretical approach to propose a molecular orbital
scheme for the electron network of trimethylenemethane.
Trimethylenemethane has a planar, D3
3h, structure.
H₂C
=CH₂
a. Using the three 2p, orbitals on the terminal C atoms as a basis,
generate a reducible representation. Note that the z-axis is
perpendicular to the plane of the page. Reduce this representation
to its component irreducible representations. You should end up
H₂C
with one non-degenerate irreducible representation and one doubly degenerate irreducible
representation.
-
b. Use projection operators to project out the appropriate linear combinations of the basis
orbitals to make reasonable SALCs. To obtain the non-degenerate SALC, use the
projection operator on Q₁. For the doubly degenerate pair, one SALC can be obtained by
using the appropriate projection operator on ₁. The second can be obtained by using the
appropriate projection operator on (9₂ 93). Sketch the resulting SALCs.
c. Sketch the four molecular orbitals. You will get one bonding MO, one antibonding MO
and two non-bonding MOS.
d. Sketch a plausible MO diagram for the species. Place the proper number of electrons in
the diagram. One resonance structure of trimethylenemethane is shown.
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