THEORETICAL ROTATIONAL-CONSTANTS OF MECNN SPECIES

被引：10
|
作者：
ARNAU, A [1 ]
TUNON, I [1 ]
ANDRES, J [1 ]
SILLA, E [1 ]
机构：
[1] COLLEGI UNIV CASTELLO,CASTELLO,SPAIN
来源：
CHEMICAL PHYSICS LETTERS | 1990年 / 166卷 / 01期
关键词：
D O I：
10.1016/0009-2614(90)87049-W
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：
By means of SCF HF "ab initio" calculations with STO-3G and 6-31G basis sets, the geometric parameters of methylcyanopolyynes (MeCnN n=3, 5, 7 and 9) have been obtained. B0=0.3748 GHz for MeC7N and B0=0.2708 GHz for MeC9N, with a STO-3G basis set, were obtained. Both species, unstable in the laboratory, are still undetected in the interstellar medium, although their existence is very probable. © 1990.
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页码：54 / 56
页数：3
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