Dissociation energy of the molecule ZnI

被引：5
作者：
Hildenbrand, DL [1 ]
Lau, KH [1 ]
机构：
[1] SRI Int, Menlo Pk, CA 94025 USA
来源：
CHEMICAL PHYSICS LETTERS | 2003年 / 379卷 / 1-2期
关键词：
D O I：
10.1016/j.cplett.2003.07.022
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 dissociation energy (D-0(0)) of the molecule ZnI was determined from gaseous equilibrium measurements over the range 993-1058 K. The Ag-Zn-I chemical species were generated by reaction Of I-2(g) with a Ag/Zn/Cu sample in an effusion cell source, and their abundances were monitored by mass spectrometry. Both the resulting D-0(0)(ZnI) = 35.7 +/- 1.5 kcal mol(-1) and a previously reported equilibrium value for D-0(0)(ZnCl) are somewhat larger than reported theoretical values, with the Gaussian MP2 method yielding D-0(0) values in closest agreement with experiment. (C) 2003 Elsevier B.V. All rights reserved.
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页码：37 / 39
页数：3
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