The isomers of HF-HCN formed in helium nanodroplets:: Infrared spectroscopy and ab initio calculations -: art. no. 024306

被引：29

作者：

Douberly, GE ^{[1
]}

Miller, RE ^{[1
]}

机构：

[1] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 122卷 / 02期

关键词：

D O I：

10.1063/1.1828047

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：

Binary complexes containing hydrogen cyanide and hydrogen fluoride are formed in helium nanodroplets, and studied using high-resolution infrared laser spectroscopy. Rotationally resolved spectra are reported for the H-F and C-H stretches of the linear HCN-HF complex, a system that has been thoroughly studied in the gas phase. We report the high-resolution spectra of the higher energy, bent HF-HCN isomer, which is also formed in helium. Stark spectra are reported for both isomers, providing dipole moments of these complexes. The experimental results are compared with ab initio calculations, also reported here. Spectra are reported for several ternary complexes, including (HCN)(2)-HF, HCN-(HF)(2), HF-(HCN)(2), and HF-HCN-HF. (C) 2005 American Institute of Physics.

引用

页数：8

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