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• W2055604311 endingPage "1546" @default.
• W2055604311 startingPage "1539" @default.
• W2055604311 abstract "It is shown that it is possible to describe both the CC and the CH bonds of strained cyclic hydrocarbons in terms of localized orthogonal MOs which are built from low principal quantum number AOs of the atoms. The results agree surprisingly well with Coulson and Moffitt's VB calculation. The CC bonds of cyclopropane are extensively bent and their carbon hybrid AOs contain very little of the 2s AO. The CH bonds of cyclopropane resemble those of ethylene. The CC bonds of cyclobutane are also slightly bent and their carbon hybrid AOs contain less of the 2s AO than do those of an unstrained paraffin. The results support Walsh's general contention that the electrons of the CC bonds of cyclopropane are responsible for the olefin-like properties because these electrons are similar to the π electrons of olefins in that they inhibit AOs which are much closer to pure 2p AOs than are the 2s containing hybrid AOs which carbon uses in unstrained CC bonds." @default.
• W2055604311 created "2016-06-24" @default.
• W2055604311 creator A5073153737 @default.
• W2055604311 date "1963-01-01" @default.
• W2055604311 modified "2023-10-18" @default.
• W2055604311 title "The MO theory of bent bonds in strained cyclic hydrocarbons" @default.
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• W2055604311 doi "https://doi.org/10.1016/s0040-4020(01)99228-2" @default.
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