THEORETICAL-STUDY OF THE C-H BOND-DISSOCIATION ENERGY OF ACETYLENE

被引：44

作者：

BAUSCHLICHER, CW ^{[1
]}

LANGHOFF, SR ^{[1
]}

TAYLOR, PR ^{[1
]}

机构：

[1] ELORET INST,SUNNYVALE,CA 94087

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 171卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(90)80047-H

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：

We present a theoretical study of the convergence of the CH bond dissociation energy (D0) of acetylene with respect to both the one- and n-particle spaces. Our best estimate for D0 of 130.1 ± 1.0 kcal/mol is slightly below previous theoretical estimates, but substantially above the value determined using Stark anticrossing spectroscopy that is asserted to be an upper bound. © 1990.

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页码：42 / 48

页数：7

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