MO calculations on electrophilic reactions—II : The addition of hydrogen to methylene, a carbene insertion Process
作者： H. Kollmar
DOI: 10.1016/0040-4020(72)88122-5
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摘要: Abstract The addition of hydrogen to methylene, the prototype methylene insertion reactions, is studied with a modified CNDO procedure. Carbene insertions proceed via non least motion processes. two product orbitals are formed consecutively, each by steady combination an occupied and empty orbital reactants. This principle determines calculated reaction coordinate leads concerted step mechanism. chemical consequences mechanism discussed.
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