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• W2049202810 abstract "1,2-rearrangements of carbenes: CCH2X(X = CH2, NH and O) are studied by using ab initio gradient method. Heteroatoms N and O stabilize the carbene and decrease its reactivity, mainly by changing frontier molecular orbitals, but retain the way of the reaction. The reaction starts from the attack of the migrating hydrogen on the carbene p AO and ends with the entrance of the hydrogen into the carbene σ orbital. Reactivities are in the order of X = CH8>NH>0. The reaction is exothermic or endothermic according to whether the product is a 4n+2 or 4n π electron molecule." @default.
• W2049202810 created "2016-06-24" @default.
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• W2049202810 date "1990-07-01" @default.
• W2049202810 modified "2023-10-11" @default.
• W2049202810 title "Effects of heteroatoms on 1,2-rearrangements of 3-membered ring carbenes" @default.
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• W2049202810 doi "https://doi.org/10.1002/cjoc.19900080407" @default.
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