S-CIS AND S-TRANS CONFORMERS OF FORMIC, THIOFORMIC AND DITHIOFORMIC ACIDS - AN ABINITIO STUDY

被引:86
作者
FAUSTO, R
DECARVALHO, LAEB
TEIXEIRADIAS, JJC
RAMOS, MN
机构
[1] UNIV COIMBRA,DEPT QUIM,P-3049 COIMBRA,PORTUGAL
[2] UNIV FED PERNAMBUCO,DEPT QUIM FUNDAMENTAL,BR-50000 RECIFE,PE,BRAZIL
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1989年 / 85卷
关键词
D O I
10.1039/f29898501945
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1945 / 1962
页数:18
相关论文
共 57 条
[41]   COMBINATION OF THEORETICAL ABINITIO AND EXPERIMENTAL INFORMATION TO OBTAIN RELIABLE HARMONIC FORCE-CONSTANTS - SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELDS FOR GLYOXAL, ACROLEIN, BUTADIENE, FORMALDEHYDE, AND ETHYLENE [J].
PULAY, P ;
FOGARASI, G ;
PONGOR, G ;
BOGGS, JE ;
VARGHA, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (24) :7037-7047
[42]  
RAMOS MA, UNPUB
[43]   ABINITIO COUNTERPART OF INFRARED ATOMIC CHARGES - COMPARISON WITH CHARGES OBTAINED FROM ELECTROSTATIC POTENTIALS [J].
RAMOS, MN ;
GUSSONI, M ;
CASTIGLIONI, C ;
ZERBI, G .
CHEMICAL PHYSICS LETTERS, 1988, 151 (4-5) :397-402
[44]  
RAMOS MN, 1988, P S ELECTRON STRUCT
[45]  
RAMOS MN, UNPUB J CHEM PHYS
[46]   RAMAN-SPECTRA OF DITHIOACETIC ACID-D0 AND ACID-D4 IN DICHLOROMETHANE [J].
RANDHAWA, HS ;
WALTER, W .
JOURNAL OF RAMAN SPECTROSCOPY, 1981, 11 (02) :138-140
[47]   HYDROGEN-BONDING, TAUTOMERISM AND NORMAL VIBRATIONS OF THIOL ACIDS [J].
RANDHAWA, HS ;
RAO, CNR .
JOURNAL OF MOLECULAR STRUCTURE, 1974, 21 (01) :123-134
[48]   TAUTOMERISM, INFRARED, RAMAN AND NMR-SPECTRA OF TRICHLOROTHIOLACETIC ACID [J].
RANDHAWA, HS ;
MEESE, CO ;
WALTER, W .
JOURNAL OF MOLECULAR STRUCTURE, 1977, 36 (01) :25-34
[49]   VIBRATIONAL-SPECTRA AND NORMAL COORDINATE ANALYSIS OF ISOTOPICALLY LABELED FORMIC-ACID MONOMERS [J].
REDINGTON, RL .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 65 (02) :171-189
[50]  
SCHEITHAUER S, 1979, TOPICS SULFUR CHEM, V4