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
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.
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页码:2066 / 2075
页数:10
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