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Some new aspects of bonding in cyclopropane (1986)

Pan, Dao-Kai ; Gao, Jian-Nan ; Lin, Hai-Lun ; [et al.]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 29 (1986), S. 1147-1154

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Details

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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