Concepts of metal-mediated methane functionalization.: An intersection of experiment and theory

被引：98
作者：
Schwarz, H [1 ]
Schröder, D [1 ]
机构：
[1] Tech Univ Berlin, Inst Organ Chem, D-10623 Berlin, Germany
来源：
PURE AND APPLIED CHEMISTRY | 2000年 / 72卷 / 12期
关键词：
D O I：
10.1351/pac200072122319
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Concepts for the activation of methane are derived from ion-molecule reactions of mass-selected, ground-state transition-metal cations M+. Elementary steps of industrially important processes are uncovered (e.g., oxygenation of methane or its coupling with carbon dioxide). In addition, the implications of the electronic structures of M(CH2)(+) complexes for their reactions with nucleophiles are discussed, and the crucial role of contemporary quantum mechanical calculations in the elucidation of mechanistic details is emphasized.
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页码：2319 / 2332
页数：14
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