COMPUTER MODELING OF MULTISTEP CARBONIUM-ION REARRANGEMENTS - APPLICATIONS TO METHYLCYCLOPENTYL AND TERT-AMYL

被引：9

作者：

SAUNDERS, M

BUDIANSKY, SP

机构：

[1] Sterling Chemistry Laboratory, Yale University, New Haven

来源：

TETRAHEDRON | 1979年 / 35卷 / 08期

关键词：

D O I：

10.1016/S0040-4020(01)93704-4

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A general Monte-Carlo method computer program is described which simulates carbonium ion rearrangements via 1,2-hydride shifts and protonated-cyclopropanes. Its application in examining possible overall rearrangement mechanisms in t-amyl cation is discussed. Results from an earlier version of the program for the case of methylcyclopentyl cation are also presented. © 1979.

引用

收藏

页码：929 / 932

页数：4

相关论文

共 15 条

[1] A MATHEMATICAL MODEL FOR THE NARROWING OF SPECTRAL LINES BY EXCHANGE OR MOTION [J].

ANDERSON, PW .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1954, 9 (03) :316-339

[2]

BROUWER DM, 1968, RECL TRAV CHIM PAY-B, V87, P210

[3]

BROUWER DM, 1964, P CHEM SOC LONDON, P147

[4] NOTE ON THE STOCHASTIC THEORY OF RESONANCE ABSORPTION [J].

KUBO, R .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1954, 9 (06) :935-944

[5]

KUBO R, 1957, NUOVO CIMENTO SUPPL, V6, P1063

[6] STABLE CARBONIUM IONS .V. ALKYLCARBONIUM HEXAFLUOROANTIMONATES [J].

OLAH, GA ;

MCINTYRE, JS ;

BASTIEN, IJ ;

TOLGYESI, WS ;

BAKER, EB ;

EVANS, JC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (07) :1360-&

[7]

OLAH GA, 1970, CARBONIUM IONS, V2, pCH17

[8] RAPID REARRANGEMENTS IN T-AMYL CATION AND RELATIVE SIGN OF COUPLING CONSTANTS [J].

SAUNDERS, M ;

HAGEN, EL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (09) :2436-&

[9] A NEW REARRANGEMENT PROCESS IN METHYLCYCLOPENTYL AND T-AMYL CATIONS [J].

SAUNDERS, M ;

ROSENFIE.J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (27) :7756-&

[10] EVIDENCE FOR PROTONATED CYCLOPROPANE INTERMEDIATES FROM STUDIES OF STABLE SOLUTIONS OF CARBONIUM-IONS [J].

SAUNDERS, M ;

VOGEL, P ;

HAGEN, EL ;

ROSENFEL.J .

ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (02) :53-59