Photodissociation kinetics of the isobutanal radical cation: a combined experimental and theoretical study
| Autor: | Myung Hwa Kim, Cheol Joo Moon, Joong Chul Choe, Myong Yong Choi |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Chemistry
General Chemical Engineering Photodissociation Kinetics General Chemistry 010402 general chemistry Photochemistry 01 natural sciences Dissociation (chemistry) 0104 chemical sciences Ion Radical ion 0103 physical sciences Potential energy surface Theoretical methods Isobutanal 010303 astronomy & astrophysics |
| Zdroj: | RSC Adv.. 7:47689-47694 |
| ISSN: | 2046-2069 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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