Gas-phase radical-radical reaction dynamics of O(3P)+C 2H3 C2H2+OH

Min Jin Park; Kyoo Weon Kang; Gi Woo Lee; Jong Ho Choi

doi:10.1002/chem.201101398

Gas-phase radical-radical reaction dynamics of O(³P)+C ₂H₃ C₂H₂+OH

Min Jin Park, Kyoo Weon Kang, Gi Woo Lee, Jong Ho Choi

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

A radical challenge: Oxidation reaction dynamics of vinyl radicals (C ₂H₃) in the gas phase have been investigated through a combination of high-resolution spectroscopy and ab initio calculations. A new exothermic reaction channel has been identified and the nascent distributions of the OH products in the ground vibrational state showed substantial rotational excitations with a bimodal feature composed of the low and high N″ components (see figure).

Original language	English
Pages (from-to)	11410-11414
Number of pages	5
Journal	Chemistry - A European Journal
Volume	17
Issue number	41
DOIs	https://doi.org/10.1002/chem.201101398
Publication status	Published - 2011 Oct 4

Keywords

ab initio calculations
high-resolution spectroscopy
radical-radical reaction dynamics
reaction mechanisms

ASJC Scopus subject areas

Catalysis
Organic Chemistry

Access to Document

10.1002/chem.201101398

Cite this

@article{04675638615043f0a4e093883c276cc3,

title = "Gas-phase radical-radical reaction dynamics of O(3P)+C 2H3 C2H2+OH",

abstract = "A radical challenge: Oxidation reaction dynamics of vinyl radicals (C 2H3) in the gas phase have been investigated through a combination of high-resolution spectroscopy and ab initio calculations. A new exothermic reaction channel has been identified and the nascent distributions of the OH products in the ground vibrational state showed substantial rotational excitations with a bimodal feature composed of the low and high N″ components (see figure).",

keywords = "ab initio calculations, high-resolution spectroscopy, radical-radical reaction dynamics, reaction mechanisms",

author = "Park, {Min Jin} and Kang, {Kyoo Weon} and Lee, {Gi Woo} and Choi, {Jong Ho}",

year = "2011",

month = oct,

day = "4",

doi = "10.1002/chem.201101398",

language = "English",

volume = "17",

pages = "11410--11414",

journal = "Chemistry - A European Journal",

issn = "0947-6539",

publisher = "Wiley-VCH Verlag",

number = "41",

}

TY - JOUR

T1 - Gas-phase radical-radical reaction dynamics of O(3P)+C 2H3 C2H2+OH

AU - Park, Min Jin

AU - Kang, Kyoo Weon

AU - Lee, Gi Woo

AU - Choi, Jong Ho

PY - 2011/10/4

Y1 - 2011/10/4

N2 - A radical challenge: Oxidation reaction dynamics of vinyl radicals (C 2H3) in the gas phase have been investigated through a combination of high-resolution spectroscopy and ab initio calculations. A new exothermic reaction channel has been identified and the nascent distributions of the OH products in the ground vibrational state showed substantial rotational excitations with a bimodal feature composed of the low and high N″ components (see figure).

AB - A radical challenge: Oxidation reaction dynamics of vinyl radicals (C 2H3) in the gas phase have been investigated through a combination of high-resolution spectroscopy and ab initio calculations. A new exothermic reaction channel has been identified and the nascent distributions of the OH products in the ground vibrational state showed substantial rotational excitations with a bimodal feature composed of the low and high N″ components (see figure).

KW - ab initio calculations

KW - high-resolution spectroscopy

KW - radical-radical reaction dynamics

KW - reaction mechanisms

UR - http://www.scopus.com/inward/record.url?scp=80053181740&partnerID=8YFLogxK

U2 - 10.1002/chem.201101398

DO - 10.1002/chem.201101398

M3 - Article

C2 - 21887834

AN - SCOPUS:80053181740

SN - 0947-6539

VL - 17

SP - 11410

EP - 11414

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 41

ER -