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氦纳米液滴中咪唑配合物的红外激光光谱:单体、二聚体和二元水配合物

Infrared laser spectroscopy of imidazole complexes in helium nanodroplets: monomer, dimer, and binary water complexes.

作者信息

Choi Myong Yong, Miller Roger E

机构信息

Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, USA.

出版信息

J Phys Chem A. 2006 Aug 3;110(30):9344-51. doi: 10.1021/jp0624146.

DOI:10.1021/jp0624146
PMID:16869682
Abstract

Infrared laser spectroscopy has been used to characterize imidazole (IM), imidazole dimer (IMD), and imidazole-water (IMW) binary systems formed in helium nanodroplets. The experimental results are compared with ab initio calculations reported here. Vibrational transition moment angles provide conclusive assignments for the various complexes studied here, including IM, one isomer of IMD, and two isomers of the IMW binary complexes.

摘要

红外激光光谱已被用于表征在氦纳米液滴中形成的咪唑(IM)、咪唑二聚体(IMD)和咪唑 - 水(IMW)二元体系。将实验结果与本文报道的从头算计算进行了比较。振动跃迁矩角为本文研究的各种配合物提供了确凿的归属,包括IM、IMD的一种异构体以及IMW二元配合物的两种异构体。

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