ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The peculiar properties of the three-membered ring in cyclopropane are partially due to characteristic relaxation effects of the carbon orbitals in the molecule. AO contraction in the two strongly C—C bonding MO's of A'1 type is essential for the stability of the C3 ring, whereas AO expansion in the E'-type HOMO contributes to the π character of the peripheral C—C bonds.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560290513
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