Matrix isolation mid- and far-infrared spectra of sulfuric acid and deuterated sulfuric acid vapors

被引：62

作者：

Givan, A

Larsen, LA

Loewenschuss, A ^{[1
]}

Nielsen, CJ

机构：

[1] Hebrew Univ Jerusalem, Dept Inorgan & Analyt Chem, IL-91904 Jerusalem, Israel

[2] Univ Oslo, Dept Chem, N-0315 Oslo, Norway

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 509卷 / 1-3期

关键词：

sulfuric acid; infrared spectroscopy; matrix isolation; ab initio calculations; normal modes;

D O I：

10.1016/S0022-2860(99)00209-4

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：

Infrared spectra of sulfuric acid and mixtures of sulfuric acid with the mono- and dideuterated species isolated in argon matrices at 5 K were obtained in the region 4000-180 cm(-1). The spectra were assigned in terms of C-2 symmetry and compared with the results of the ab initio calculations. Our previous mid-infrared assignment is augmented and all the 15 normal modes of the argon isolated H2SO4 monomer are now assigned for the first time. Thermodynamic properties are calculated based upon these vibrational frequencies and structural parameters. Bands attributed to the deuterated water complex species support previous assumptions in regard to bonding and structure. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：35 / 47

页数：13

共 37 条

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