Observation of the (A)over-tilde-(X)over-tilde Electronic Transition of the β-Hydroxyethylperoxy Radical

被引：15

作者：

Chhantyal-Pun, Rabi ^{[1
]}

Kline, Neal D. ^{[1
]}

Thomas, Phillip S. ^{[1
]}

Miller, Terry A. ^{[1
]}

机构：

[1] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2010年 / 1卷 / 12期

关键词：

OH-INITIATED OXIDATION; ISOPRENE OXIDATION; RATE COEFFICIENTS; PEROXY-RADICALS; KINETICS; O-2; HYDROXYETHOXY; HYDROCARBONS; SECONDARY; PRODUCTS;

D O I：

10.1021/jz1005576

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 (A) over tilde-(X) over tilde electronic absorption spectrum beta-hydroxyethyl peroxy radical (beta-HEP) has been recored in the NIR by cavity righdown spectroscopy. The precursor, beta-hydroxyethyl radical, is generated by photolysis of 2-iodoethanol and by OH-initiated oxidation of ethene, in both cases followed by addition of O-2 to from the peroxy. Although electronic structure calculations predict that 13 conformers of beta-HEP exist as minima on the potential energy surface the experimental spectrum is rationalized in terms of the band origins and vibrational progressions of only the two most stable conformers, G(1)G(2)G(3) and G(1)'G(2)G(3).

引用

页码：1846 / 1852

页数：7

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