INFRARED-SPECTRUM OF DIVINYL TELLURIDE AND THEORETICAL-ANALYSIS OF DIVINYL GROUP-VI COMPOUNDS

被引:14
作者
SOHLBERG, K
BAKER, BL
LEARY, SP
OWEN, NL
FACELLI, JC
TROFIMOV, BA
机构
[1] BRIGHAM YOUNG UNIV,DEPT CHEM & BIOCHEM,PROVO,UT 84602
[2] UNIV UTAH,UTAH SUPERCOMP INST,SALT LAKE CITY,UT 84112
[3] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
[4] RUSSIAN ACAD SCI,INST ORGAN CHEM,IRKUTSK 664033,RUSSIA
关键词
D O I
10.1016/0022-2860(95)08858-S
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
The infrared spectrum of divinyl telluride (DVT) has been studied for the gaseous, liquid and solid phases as well as in inert matrices at low temperatures. HF-SCF calculations (using triple-zeta quality basis sets) have been carried out on DVT and on the oxygen, sulfur and selenium analogs. In each instance the calculations predict two relatively stable conformations, with the cis/trans form being the more stable for divinyl ether and a near-planar trans/trans form being the more stable for the other three compounds. The infrared spectrum of DVT is consistent with the presence of two rotameric forms of the molecule, and assignments of many of the absorptions are made to normal modes.
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收藏
页码:55 / 69
页数:15
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