Issue 75, 2017, Issue in Progress
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RSC Advances

Photodissociation kinetics of the isobutanal radical cation: a combined experimental and theoretical study

Joong Chul Choe,*a   Cheol Joo Moon,b   Myong Yong Choi ORCID logo b  and  Myung Hwa Kim ORCID logo *c  

* Corresponding authors

a Department of Chemistry, Dongguk University-Seoul, Seoul 04620, Korea
E-mail: jcchoe@dongguk.edu

b Department of Chemistry(BK21+), Research Institute of Natural Science, Gyeongsang National University, JinJu 52828, Korea

c Department of Chemistry & Nano Science, Ewha Womans University, Seoul 03760, Korea
E-mail: myungkim@ewha.ac.kr

Abstract

The competitive photodissociation kinetics of the isobutanal radical cation ((CH3)2CHCHO+˙, 1) were investigated using experimental and theoretical methods. The photodissociation was followed by the 2 + 1 REMPI process in the gas phase. The reaction pathways for the main product ions with m/z 43 and 29 were determined by calculating the potential energy surface of the dissociation with the G4 method. Through a kinetic analysis using RRKM calculations, we proposed that the main photodissociation pathways were 1 → (CH3)2CH+ + CHO˙, 1 → (CH3)2CH+ + H˙ + CO, and 1 → CH3CH2COCH3+˙ → CH3CH2+ + CH3˙ + CO.

Graphical abstract: Photodissociation kinetics of the isobutanal radical cation: a combined experimental and theoretical study

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Article information

DOI
https://doi.org/10.1039/C7RA08526E
Article type
Paper
Submitted
02 Aug 2017
Accepted
04 Oct 2017
First published
10 Oct 2017
This article is Open Access
Creative Commons BY license

RSC Adv., 2017,7, 47689-47694

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Photodissociation kinetics of the isobutanal radical cation: a combined experimental and theoretical study

J. C. Choe, C. J. Moon, M. Y. Choi and M. H. Kim, RSC Adv., 2017, 7, 47689 DOI: 10.1039/C7RA08526E

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