C-13 NMR-SPECTRA OF SUBSTITUTED 2-THIOPHENECARBOXYLIC ACID METHYL-ESTERS AND MNDO CALCULATIONS

被引:16
作者
SATONAKA, H [1 ]
ABE, K [1 ]
HIROTA, M [1 ]
机构
[1] YOKOHAMA NATL UNIV, FAC SCI, DEPT APPL CHEM, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
关键词
D O I
10.1246/bcsj.60.953
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:953 / 961
页数:9
相关论文
共 19 条
[1]   PREFERRED CONFORMATION OF 1-PHENYL-2-PROPANOL - ABINITIO AND MOLECULAR MECHANICS CALCULATIONS WITH GEOMETRY OPTIMIZATION [J].
ABE, K ;
HIROTA, M ;
MOROKUMA, K .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1985, 58 (09) :2713-2714
[2]   TABLES OF INTERATOMIC DISTANCES AND MOLECULAR CONFIGURATIONS OBTAINED BY ELECTRON DIFFRACTION IN THE GAS PHASE [J].
ALLEN, PW ;
SUTTON, LE .
ACTA CRYSTALLOGRAPHICA, 1950, 3 (01) :46-72
[3]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[4]   GROUND-STATES OF MOLECULES .64. MNDO CALCULATIONS FOR COMPOUNDS CONTAINING BROMINE [J].
DEWAR, MJS ;
HEALY, E .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (04) :542-551
[5]   HYDROGEN BONDS FORMED BY C-H GROUPS [J].
GOEL, A ;
RAO, CNR .
TRANSACTIONS OF THE FARADAY SOCIETY, 1971, 67 (586) :2828-+
[6]  
GRONOWITZ S, 1975, CHEM SCRIPTA, V7, P76
[7]  
IMOTO E, 1956, NIPPON KAGAKU ZASSHI, V77, P804
[8]   C-13 SPLITTINGS IN PROTON MAGNETIC RESONANCE SPECTRA .2. BONDING IN SUBSTITUTED METHANES [J].
MULLER, N ;
PRITCHARD, DE .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (06) :1471-1476
[9]   SOLVENT EFFECTS IN C-13 NUCLEAR MAGNETIC-RESONANCE - ELECTRONIC PERTURBATION OF AROMATIC SYSTEMS [J].
NELSON, GL ;
CARGIOLI, JD ;
LEVY, GC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) :3089-&
[10]   CONFORMATIONS OF ESTER GROUP [J].
OKI, M ;
NAKANISHI, H .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1970, 43 (08) :2558-+