Infrared spectra and density functional calculations for OMCO, OM-(η2-CO), OMCO+, and OMOC+ (M = V, Ti) in solid argon

被引：52

作者：

Zhou, MF ^{[1
]}

Andrews, L ^{[1
]}

机构：

[1] Univ Virginia, Dept Chem, Charlottesville, VA 22901 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1999年 / 103卷 / 13期

关键词：

D O I：

10.1021/jp9844009

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：

Laser-ablated V and Ti atoms react with CO2 molecules to give primarily the insertion products, OMCO and O2M(CO)(2), which have been isolated in a solid argon matrix. Photoisomerization of OMCO molecules to form the side-bonded OM-(eta(2)-CO) isomers and photoionization to give the OMCO+ and OMOC+ cations proceed upon mercury are photolysis. The product absorptions were identified by isotopic substitution and density functional calculations of isotopic frequencies.

引用

页码：2066 / 2075

页数：10

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