Are aroylnitrenes species with a singlet ground state?

被引：41
|
作者：
Gritsan, NP [1 ]
Pritchina, EA
机构：
[1] Russian Acad Sci, Inst Chem Kinet & Combust, Siberian Branch, Novosibirsk 630090, Russia
[2] Novosibirsk State Univ, Dept Nat Sci, Novosibirsk 630090, Russia
来源：
MENDELEEV COMMUNICATIONS | 2001年 / 03期
关键词：
D O I：
10.1070/MC2001v011n03ABEH001376
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The B3LYP calculations of the properties of singlet and triplet benzoylnitrenes and naphthoylnitrenes testify to the stabilization of the (1)A' state relative to the (3)A'' state due to the intermediacy of an NCO structure between nitrene and oxazirene in the (1)A' state.
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收藏
页码：94 / 95
页数：2
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