Mg(+)(H2O)Ar(n)配合物的红外光解离光谱：逐步微溶剂化中的异构体

Infrared photodissociation spectroscopy of Mg(+)(H2O)Ar(n) complexes: isomers in progressive microsolvation.

作者信息

Walker N R, Walters R S, Tsai M-K, Jordan K D, Duncan M A

机构信息

Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556, USA.

出版信息

J Phys Chem A. 2005 Aug 18;109(32):7057-67. doi: 10.1021/jp051877t.

DOI:10.1021/jp051877t

PMID:16834068

Abstract

Ion-molecule complexes of the form Mg(H2O)Ar(n)+ (n = 1-8) are produced by laser vaporization in a pulsed-nozzle cluster source. These complexes are mass-selected and studied with infrared photodissociation spectroscopy in the O-H stretch region. The spectra are interpreted with the aid of ab initio calculations on the n = 1-5 complexes, including examination of various isomeric structures. The combined spectroscopic and theoretical studies reveal the presence of multiple isomeric structures at each cluster size, as the argon atoms assemble around the Mg(+)(H2O) unit. Distinct infrared resonances are measured for argon-on-metal, argon-on-OH and argon-on-two-OH isomers.

摘要

通过脉冲喷嘴团簇源中的激光汽化产生形式为Mg(H₂O)Ar(n)+（n = 1 - 8）的离子 - 分子复合物。这些复合物经过质量选择，并在O - H伸缩区域用红外光解离光谱进行研究。借助对n = 1 - 5复合物的从头算计算（包括检查各种异构体结构）对光谱进行解释。光谱和理论研究相结合表明，随着氩原子围绕Mg(+)(H₂O)单元聚集，在每个团簇尺寸下都存在多种异构体结构。对金属上氩、OH上氩和两个OH上氩的异构体测量到了不同的红外共振。