THEORETICAL-STUDY OF METHANE ACTIVATION BY RE, OS, IR, AND PT

被引：16

作者：

SWANG, O ^{[1
]}

FAEGRI, K ^{[1
]}

GROPEN, O ^{[1
]}

机构：

[1] UNIV TROMSO,DEPT MATH & PHYS SCI,N-9000 TROMSO,NORWAY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 11期

关键词：

D O I：

10.1021/j100062a043

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 activation of methane C-H bonds by the third-row transition metal atoms Re, Os, Ir, and Pt has been studied using relativistic effective core potentials (RECPs) and electron correlation. Activation and reaction energies are calculated and compared to earlier results on dissociation of H-2 on the same atoms and of CH4 and H-2 on first- and second-row transition metal atoms.

引用

页码：3006 / 3009

页数：4

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