Matrix infrared spectra and ab initio calculations of the nitrous acid complexes with nitrogen monoxide

被引：32
|
作者：
Mielke, Z [1 ]
Latajka, Z [1 ]
Olbert-Majkut, A [1 ]
Wieczorek, R [1 ]
机构：
[1] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 16期
关键词：
D O I：
10.1021/jp993889i
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：
Complexes between trans and cis isomers of nitrous acid and nitrogen monoxide have been isolated in argon matrices and studied using FTIR spectroscopy and ab initio calculations at the ROMP2 level. The calculations indicate formation of four hydrogen-bonded complexes with trans- or cis-HONO isomer bound to nitrogen or oxygen atoms of NO molecule. Comparison of the calculated frequencies with the frequencies of the complexes trapped in solid argon proved that the more stable ON ... HONO trans and ON ... HONO cis complexes with an acid molecule attached to nitrogen atom are trapped in the matrix.
引用
收藏
页码：3764 / 3769
页数：6
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