Reagents for electrophilic amination: A quantum Monte Carlo study
2007
Electrophilic amination is an appealing synthetic strategy to construct carbon-nitrogen bonds. The authors explore the use of the quantum Monte Carlo method and a proposed variant of the electron pair localization function—the electron pair localization function density—as a measure of the nucleophilicity of nitrogen lone pairs as a possible screening procedure for electrophilic reagents.
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