[1,3]-SIGMATROPIC REARRANGEMENT OF 1,3,5-TRIPHOSPHABICYCLO[2.1.0]PENT-2-ENE

被引:15
作者
BACHRACH, SM [1 ]
CALIMAN, V [1 ]
NIXON, JF [1 ]
机构
[1] UNIV SUSSEX,SCH CHEM & MOLEC SCI,BRIGHTON BN1 9QJ,E SUSSEX,ENGLAND
关键词
D O I
10.1039/c39950002395
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The activation barrier for the [1,3]-phosphorus migration in the title compound is estimated (MP4SDTQ/6-31 G*//MP2/6-31 G* + ZPE) to be 11.62 kcal mol(-1) (1 cal = 4.184 J), which is considerably smaller than the barrier (31.13 kcal mol(-1)) for [1,3]-carbon migration in the corresponding hydrocarbon.
引用
收藏
页码:2395 / 2396
页数:2
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