Abstract
Using the McLachlan S.C.F. method, the spin distributions in some phenoxyl radicals, phenol radical cations, and some alkyl aryl ether radical cations were calculated using a full set of basis π-electron orbitals. This made it possible to estimate the aliphatic proton splittings directly, also to explain trends in spin distribution caused by electron withdrawing groups, such as carbonyl.
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More From: Journal of the Chemical Society, Faraday Transactions 2
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