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Some new aspects of bonding in cyclopropane
Author(s) -
Pan DaoKai,
Gao JianNan,
Lin HaiLun,
Huang MingBao,
Eugen Schwarz W. H.
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560290513
Subject(s) - cyclopropane , ring (chemistry) , chemistry , atomic orbital , contraction (grammar) , molecule , relaxation (psychology) , crystallography , character (mathematics) , computational chemistry , chemical physics , physics , electron , geometry , organic chemistry , quantum mechanics , mathematics , medicine , social psychology , psychology
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 CC bonding MO's of A ' 1type is essential for the stability of the C 3 ring, whereas AO expansion in the E'‐type HOMO contributes to the π character of the peripheral CC bonds.