Gas-phase reaction of trimethylgallium and ammonia: Experimental determination of the equilibrium constant and ab initio calculations

被引：18
|
作者：
Pelekh, A [1 ]
Carr, RW [1 ]
机构：
[1] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2001年 / 105卷 / 19期
关键词：
D O I：
10.1021/jp0100147
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 equilibrium constant for the reaction of trimethylgallium and ammonia has been determined at 40-100 degreesC via direct pressure measurements. The reaction enthalpy found from experimental data (-15.2 +/- 1.5 kcal/mol) is in good agreement with the value obtained from ab initio calculations (-15.9 kcal/mol) using a series of Dunning's basis sets. Presented data should be useful for modeling of gallium nitride chemical vapor deposition reactors as well as for further theoretical analysis of thermodynamic and kinetic processes in gallium chemistry.
引用
收藏
页码：4697 / 4701
页数：5
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