THE CH2CL TORSIONAL BARRIER OF BENZYL-CHLORIDE STUDIED BY GAS-PHASE ABSORPTION-SPECTROSCOPY AND ABINITIO CALCULATIONS

被引:8
作者
HOLLAS, JM [1 ]
TEIXEIRADIAS, JJC [1 ]
RIBEIROCLARO, PJA [1 ]
机构
[1] UNIV COIMBRA,DEPT CHEM,P-3049 COIMBRA,PORTUGAL
关键词
D O I
10.1016/0009-2614(89)87202-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:31 / 34
页数:4
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共 24 条
[1]   OVERTONE SPECTRAL INVESTIGATION OF THE CONFORMATIONAL PREFERENCE OF DICHLOROMETHYL AND DIBROMOMETHYL GROUPS IN BENZAL CHLORIDE AND BENZAL BROMIDE [J].
AHMED, MK ;
SWANTON, DJ ;
HENRY, BR .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (02) :293-298
[2]   ELECTRONIC ABSORPTION SPECTRA OF BENZYLCHLORIDE VAPOR [J].
AMMA, RA ;
NAIR, KPR ;
RAI, DK .
APPLIED SPECTROSCOPY, 1969, 23 (06) :616-&
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]   2750-A BAND SYSTEM OF PHENOL .2. EXTENDED VIBRATIONAL ASSIGNMENTS AND BAND CONTOUR ANALYSIS [J].
BIST, HD ;
BRAND, JCD ;
WILLIAMS, DR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 24 (04) :413-&
[5]   THE NATURE OF THE INTERNAL ROTATIONAL BARRIER IN BENZYL-CHLORIDE - AN INTERPRETATION OF THE DIPOLAR COUPLING-CONSTANTS OBTAINED FROM THE ANALYSIS OF THE PROTON NMR-SPECTRA OF SAMPLES DISSOLVED IN LIQUID-CRYSTAL SOLVENTS [J].
CELEBRE, G ;
LONGERI, M ;
EMSLEY, JW .
MOLECULAR PHYSICS, 1988, 64 (04) :715-723
[6]  
FAUSTO R, 1988, J MOL STRUC-THEOCHEM, V168, P179
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].
GORDON, MS ;
BINKLEY, JS ;
POPLE, JA ;
PIETRO, WJ ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803
[8]   THE NEAR ULTRAVIOLET ABSORPTION SPECTRA OF MONOSUBSTITUTED BENZENES - THE EFFECT OF CERTAIN META DIRECTING GROUPS [J].
HAMNER, WF ;
MATSEN, FA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1948, 70 (07) :2482-2485
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+
[10]   THE LOCAL MODE MODEL AND OVERTONE SPECTRA - A PROBE OF MOLECULAR-STRUCTURE AND CONFORMATION [J].
HENRY, BR .
ACCOUNTS OF CHEMICAL RESEARCH, 1987, 20 (12) :429-435