Gas-phase vibrational spectra of glyoxylic acid and its gem diol monohydrate. Implications for atmospheric chemistry

被引：47

作者：

Plath, Kathryn L. ^{[1
,2
]}

Axson, Jessica L. ^{[1
,2
]}

Nelson, Galen C. ^{[1
]}

Takahashi, Kaito ^{[1
]}

Skodje, Rex T. ^{[1
]}

Vaida, Veronica ^{[1
,2
]}

机构：

[1] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA

[2] Univ Colorado, CIRES, Boulder, CO 80309 USA

来源：

REACTION KINETICS AND CATALYSIS LETTERS | 2009年 / 96卷 / 02期

基金：

美国国家科学基金会;

关键词：

glyoxylic acid; atmospheric organic aerosols; vibrational spectroscopy; MOLECULAR-ORBITAL METHODS; AB-INITIO; ORGANIC-COMPOUNDS; BASIS-SETS; SPECTROSCOPY; METHANEDIOL; CONFORMERS; CONVERSION; DYNAMICS; ROTAMERS;

D O I：

10.1007/s11144-009-5528-2

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 interconversion of aldehydes and ketones to geminal diols in the presence of water impacts the role of oxidized organics in the atmosphere. While this equilibrium has been noted in condensed phases, we provide experimental evidence of it in the gas-phase. Glyoxylic acid and its geminal diol counterpart are observed in the gas-phase and their fundamental vibrational spectra were assigned and analyzed for the effects of intra- and intermolecular hydrogen bonding. The IR spectra are used to probe the differences in their structures and hydrogen bonding tendencies.

引用

页码：209 / 224

页数：16

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