CONFORMATIONS AND ROTATION OF ISOPROPYL GROUPS ATTACHED TO THE SAME SATURATED CARBON CENTER - A DYNAMIC NMR AND MOLECULAR MECHANICS STUDY OF 1,1,1-TRIS-ISO-PROPYLETHANE, DI-ISO-PROPYL-TERT-BUTYLMETHANE, AND 1,1-DI-ISO-PROPYL-TERT-BUTYLETHANE

被引:10
作者
ANDERSON, JE
BETTELS, BR
机构
[1] Chemistry Department, University College London, London WCIH OAJ
关键词
D O I
10.1016/S0040-4020(01)87842-X
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The title compounds have temperature-dependent n.m.r. spectra from which rotational barriers for iso-propyl and tert-butyl groups can be determined. Molecular mechanics calculations are used to indicate the conformations involved in these rotations and other stable conformations, and the possible pathways for their interconversions. © 1990.
引用
收藏
页码:5353 / 5364
页数:12
相关论文
共 27 条
[1]   ISOTOPE EFFECTS IN MOLECULAR MECHANICS (MM2) CALCULATIONS ON DEUTERIUM COMPOUNDS [J].
ALLINGER, NL ;
FLANAGAN, HL .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :399-403
[2]   ROTATION OF GEMINAL ISOPROPYL GROUPS - DYNAMIC NMR OF DIMETHYL DIISOPROPYL CYCLOPROPANE [J].
ANDERSON, JE ;
BETTELS, BR .
TETRAHEDRON LETTERS, 1986, 27 (33) :3909-3910
[3]  
ANDERSON JE, 1986, J CHEM RES, P420
[4]   SECONDARY EFFECT ON BARRIERS TO ROTATION IN SUBSTITUTED ETHANES [J].
ANDERSON, JE ;
PEARSON, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (04) :764-769
[5]   CONFORMATIONS AND INTERNAL-ROTATION OF TRI-ISOPROPYLMETHANE - DYNAMIC NMR AND MOLECULAR MECHANICS STUDIES [J].
ANDERSON, JE ;
KOON, KH ;
PARKIN, JE .
TETRAHEDRON, 1985, 41 (03) :561-567
[6]   2-FOLD ROTATIONAL BARRIERS IN 1,1,2,2-TETRASUBSTITUTED ETHANES A DYNAMIC NMR AND MOLECULAR MECHANICS STUDY OF SOME HIGHLY-BRANCHED SATURATED-HYDROCARBONS [J].
ANDERSON, JE ;
BETTELS, BR ;
HOFFMANN, HMR ;
PAULUTH, D ;
HELLMANN, S ;
BECKHAUS, HD ;
RUCHARDT, C .
TETRAHEDRON, 1988, 44 (12) :3701-3714
[7]  
ANDERSON JE, 1988, J CHEM SOC CHEM COMM
[8]   APPLICATION OF FORCE-FIELD CALCULATIONS .3. CONFORMATIONAL ISOMERISM AND DYNAMIC GEARING IN ETHANES WITH MANY ALKYL SUBSTITUENTS - EFF CALCULATIONS AND DYNAMIC NMR MEASUREMENTS [J].
BECKHAUS, HD ;
RUCHARDT, C ;
ANDERSON, JE .
TETRAHEDRON, 1982, 38 (15) :2299-2309
[9]   STERIC INTERPLAY BETWEEN ALKYL-GROUPS BONDED TO PLANAR FRAMEWORKS [J].
BERG, U ;
LILJEFORS, T ;
ROUSSEL, C ;
SANDSTROM, J .
ACCOUNTS OF CHEMICAL RESEARCH, 1985, 18 (03) :80-86
[10]   CONFORMATIONAL FREE-ENERGY DIFFERENCE (-DELTA-GDEGREES VALUE) OF METHYL-GROUP IN METHYLCYCLOHEXANE - ACCURATE DETERMINATION BY DIRECT, LOW-TEMPERATURE NUCLEAR MAGNETIC-RESONANCE METHOD [J].
BOOTH, H ;
EVERETT, JR .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1976, (08) :278-279