THEORETICAL-STUDIES OF FLUOROCARBONS .3. PRIMARY, SECONDARY, TERTIARY AND QUATERNARY CENTERS

被引：14

作者：

COOPER, DL

ALLAN, NL

POWELL, RL

机构：

[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

[2] ICI CHEM & POLYMERS LTD,DEPT RES & TECHNOL,RUNCORN,CHESHIRE,ENGLAND

来源：

JOURNAL OF FLUORINE CHEMISTRY | 1990年 / 49卷 / 03期

关键词：

D O I：

10.1016/S0022-1139(00)85036-8

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Quantum chemical calculations are used to examine the differences between fully fluorinated alkanes with primary, secondary, tertiary and quaternary centres. Systems studied include C(CF3)nF4-n (n=0-4), CF3[C(CF3)2]pCF3 (p=1-5), (CF3)2CF[C(CF3)2]q CF(CF3)2 (q=0-3) and CF3CF2[C(CF3)2]rC F2CF3 (r=0-3). In addition we compare systems which react with arenethiolate nucleophiles under mild conditions (e.g. cisperfluorodecalin and perfluoro(methylcyclohexane)) and those which do not (e.g. perfluorohexane and perfluorocyclohexane). A crude "lattice energy" model is used to investigate the likelihood of electron transfer, which is one possible mechanism for the unexpected reactivity. © 1990.

引用

页码：421 / 432

页数：12