APPLICATION OF FORCE-FIELD CALCULATIONS .3. CONFORMATIONAL ISOMERISM AND DYNAMIC GEARING IN ETHANES WITH MANY ALKYL SUBSTITUENTS - EFF CALCULATIONS AND DYNAMIC NMR MEASUREMENTS

被引:40
作者
BECKHAUS, HD
RUCHARDT, C
ANDERSON, JE
机构
[1] UNIV LONDON UNIV COLL,RALPH FORSTER LAB ORGAN CHEM,LONDON WC1E 6BT,ENGLAND
[2] UNIV FREIBURG,CHEM LAB,D-7800 FREIBURG,FED REP GER
关键词
D O I
10.1016/0040-4020(82)87006-3
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:2299 / 2309
页数:11
相关论文
共 33 条
[21]   UREY-BRADLEY FORCE-FIELD, VALENCE FORCE-FIELD, AND ABINITIO STUDY OF INTRA-MOLECULAR FORCES IN TRI-TERT-BUTYLMETHANE AND ISOBUTANE [J].
HAGLER, AT ;
STERN, PS ;
LIFSON, S ;
ARIEL, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (04) :813-819
[22]   STEREODYNAMICS OF ACYCLIC ALCOHOLS, ETHERS, AND N,N-DIMETHYLURETHANES - POTENTIAL BARRIERS TO ROTATION ABOUT CARBON-CARBON AND CARBON-NITROGEN BONDS [J].
HOOGASIAN, S ;
BUSHWELLER, CH ;
ANDERSON, WG ;
KINGSLEY, G .
JOURNAL OF PHYSICAL CHEMISTRY, 1976, 80 (06) :643-648
[23]   INFLUENCE OF NONBONDED INTERACTIONS ON MOLECULAR GEOMETRY AND ENERGY - CALCULATION FOR HYDROCARBONS BASED ON UREY-BRADLEY FIELD [J].
JACOB, EJ ;
THOMPSON, HB ;
BARTELL, LS .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3736-&
[24]  
ORVILLETHOMAS WJ, 1974, INTERNAL ROTATION MO
[25]   APPLICATION OF FORCE-FIELD CALCULATIONS TO ORGANIC-CHEMISTRY .8. INTERNAL-ROTATION IN SIMPLE TO CONGESTED HYDROCARBONS INCLUDING 2,3-DIMETHYLBUTANE, 1,1,2,2-TETRA-TERT-BUTYLETHANE, 2,2,4,4,5,5,7,7-OCTAMETHYLOCTANE, AND CHOLESTANE [J].
OSAWA, E ;
SHIRAHAMA, H ;
MATSUMOTO, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (17) :4824-4832
[26]   TOWARDS AN UNDERSTANDING OF THE CARBON-CARBON BOND [J].
RUCHARDT, C ;
BECKHAUS, HD .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1980, 19 (06) :429-440
[27]  
RUCHARDT C, 1980, ANGEW CHEM, V92, P417
[28]   EVALUATION OF STRAIN IN HYDROCARBONS - STRAIN IN ADAMANTANE AND ITS ORIGIN [J].
SCHLEYER, PV ;
WILLIAMS, JE ;
BLANCHARD, KR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (08) :2377-+
[29]  
STERNHELL S, 1974, DYNAMIC NUCLEAR MAGN, pCH6
[30]   CONFORMATIONAL ANALYSIS-CI - GAUCHE-HYDROGEN INTERACTION AS BASIS OF CONFORMATIONAL-ANALYSIS [J].
WERTZ, DH ;
ALLINGER, NL .
TETRAHEDRON, 1974, 30 (12) :1579-1586