Photolysis at 266 nm of nitrosylchloride-water complex. Identification of the HONO...HCl complex. Matrix isolation infrared spectroscopic and ab initio studies

被引：9
|
作者：
Pieretti, A
Sanna, N
Hallou, A
Schriver-Mazzuoli, L
Schriver, A
机构：
[1] Univ Paris 06, Lab Phys Mol & Applicat, CNRS, Unite Propre, F-75252 Paris 05, France
[2] Univ Rome La Sapienza, Dipartimento Chim, I-00185 Rome, Italy
[3] Univ Rome La Sapienza, CASPUR, I-00185 Rome, Italy
[4] Univ Paris 13, F-93430 Villetaneuse, France
[5] Univ Paris Sud, Lab Phys Mol & Applicat, Orsay, France
来源：
JOURNAL OF MOLECULAR STRUCTURE | 1998年 / 447卷 / 03期
关键词：
FTIR spectroscopy; matrix isolation; ab initio calculations; nitrous acid hydrogen chloride complex;
D O I：
10.1016/S0022-2860(98)00321-4
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：
The matrix isolated infrared spectra of complexes formed by trans and cis HONO (DONO) isomers with hydrogen chloride have been obtained in nitrogen at low temperatures by the irradiation of the nitrosylchloride complex with water, Ab initio calculations were carried out to investigate the energy surface of the bimolecular complex. Four stable structures of trans HONO:HCl complex and three stable structures of cis HONO:HCl complex were found and characterized by their equilibrium geometries, vibrational frequencies and stability study. Comparison of the calculated frequency shifts with the experimental data allowed to give the most probable structure of the cis and trans HONO:HCl complexes. (C) 1998 Elsevier Science B.V. All rights reserved.
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页码：223 / 233
页数：11
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