STRUCTURE OF MATRIX-ISOLATED S-CIS-1,3-BUTADIENE FROM POLARIZED IR-SPECTRA - A CLOSER LOOK

被引:65
作者
ARNOLD, BR [1 ]
BALAJI, V [1 ]
MICHL, J [1 ]
机构
[1] UNIV TEXAS,CTR STRUCT & REACTIV,DEPT CHEM,AUSTIN,TX 78712
关键词
D O I
10.1021/ja00161a025
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A re-examination of polarized IR spectra of the minor conformer of 1,3-butadiene isolated in argon matrix and partially aligned by photoselection confirms the previous conclusion that in weakly interacting solid environments this species is planar, i.e., s-cis, and not gauche as often believed. © 1990, American Chemical Society. All rights reserved.
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页码:1808 / 1812
页数:5
相关论文
共 31 条
[1]   THE 2ND STABLE CONFORMER OF 1,3-BUTADIENE - GEOMETRY OPTIMIZATIONS WITH CONFIGURATION-INTERACTION AND COUPLED CLUSTER-METHODS [J].
ALBERTS, IL ;
SCHAEFER, HF .
CHEMICAL PHYSICS LETTERS, 1989, 161 (4-5) :375-382
[2]  
AMOS RD, 1987, CADPAC CAMBRIDGE ANA
[3]   A THEORETICAL-STUDY OF THE POTENTIAL-ENERGY SURFACE OF BUTADIENE IN THE EXCITED-STATES [J].
AOYAGI, M ;
OSAMURA, Y .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (02) :470-474
[4]  
ARNOLD BR, UNPUB
[5]   THERMODYNAMIC PROPERTIES OF GASEOUS 1,3-BUTADIENE AND THE NORMAL BUTENES ABOVE 25-DEGREES C - EQUILIBRIA IN THE SYSTEM 1,3-BUTADIENE, N-BUTENES, AND N-BUTANE [J].
ASTON, JG ;
SZASZ, G ;
WOOLLEY, HW ;
BRICKWEDDE, FG .
JOURNAL OF CHEMICAL PHYSICS, 1946, 14 (02) :67-79
[6]  
Bock C. W., 1989, J MOL STRUC-THEOCHEM, V187, P69
[7]   REAPPRAISAL OF THE STRUCTURE OF THE 2ND STABLE CONFORMER OF BUTA-1,3-DIENE [J].
BOCK, CW ;
GEORGE, P ;
TRACHTMAN, M ;
ZANGER, M .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1979, (01) :26-34
[8]   A MOLECULAR-ORBITAL STUDY OF THE ROTATION ABOUT THE C-C BOND IN 1,3-BUTADIENE [J].
BOCK, CW ;
GEORGE, P ;
TRACHTMAN, M .
THEORETICA CHIMICA ACTA, 1984, 64 (04) :293-311
[9]   COMPARISON BETWEEN THE S-CIS AND GAUCHE CONFORMERS OF 1,3-BUTADIENE [J].
BREULET, J ;
LEE, TJ ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (21) :6250-6253
[10]   DETERMINATION OF TORSIONAL POTENTIAL FUNCTION OF 1,3-BUTADIENE [J].
CARREIRA, LA .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) :3851-3854