Hydrogen atom release dynamics in radical-radical reactions: Saturated vs unsaturated

Sung Eui Youn; You Hwa Ok; Jong Ho Choi

doi:10.1002/cphc.200700858

Hydrogen atom release dynamics in radical-radical reactions: Saturated vs unsaturated

Sung Eui Youn, You Hwa Ok, Jong Ho Choi

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

6 Citations (Scopus)

Abstract

The outstanding difference between the reactivities of saturated and unsaturated hydrocarbon radicals can be rationalized in terms of the characteristic geometry of the tight transition state and high forward and reverse activation barriers along the reaction coordinate on the potential energy surface, as shown in the schematic representation.

Original language	English
Pages (from-to)	1099-1103
Number of pages	5
Journal	ChemPhysChem
Volume	9
Issue number	8
DOIs	https://doi.org/10.1002/cphc.200700858
Publication status	Published - 2008 Jun 2

Keywords

Ab initio calculations
Gas-phase reactions
Molecular dynamics
Reaction mechanisms
Transition states

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Physical and Theoretical Chemistry

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10.1002/cphc.200700858

Cite this

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title = "Hydrogen atom release dynamics in radical-radical reactions: Saturated vs unsaturated",

abstract = "The outstanding difference between the reactivities of saturated and unsaturated hydrocarbon radicals can be rationalized in terms of the characteristic geometry of the tight transition state and high forward and reverse activation barriers along the reaction coordinate on the potential energy surface, as shown in the schematic representation.",

keywords = "Ab initio calculations, Gas-phase reactions, Molecular dynamics, Reaction mechanisms, Transition states",

author = "Youn, {Sung Eui} and Ok, {You Hwa} and Choi, {Jong Ho}",

year = "2008",

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T2 - Saturated vs unsaturated

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AU - Ok, You Hwa

AU - Choi, Jong Ho

PY - 2008/6/2

Y1 - 2008/6/2

N2 - The outstanding difference between the reactivities of saturated and unsaturated hydrocarbon radicals can be rationalized in terms of the characteristic geometry of the tight transition state and high forward and reverse activation barriers along the reaction coordinate on the potential energy surface, as shown in the schematic representation.

AB - The outstanding difference between the reactivities of saturated and unsaturated hydrocarbon radicals can be rationalized in terms of the characteristic geometry of the tight transition state and high forward and reverse activation barriers along the reaction coordinate on the potential energy surface, as shown in the schematic representation.

KW - Ab initio calculations

KW - Gas-phase reactions

KW - Molecular dynamics

KW - Reaction mechanisms

KW - Transition states

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AN - SCOPUS:45249085068

SN - 1439-4235

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JO - ChemPhysChem

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Hydrogen atom release dynamics in radical-radical reactions: Saturated vs unsaturated

Abstract

Keywords

ASJC Scopus subject areas

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