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Citation: Guo Chun-Xiao, Hou Dong-Yan, Liu Shu-Ying. A Study on CH₅O⁺ Ions in Gas Phase CID Experiment and Quantum Chemistry Calculation[J]. Acta Physico-Chimica Sinica, ;1991, 7(04): 420-424. doi: 10.3866/PKU.WHXB19910409 shu

A Study on CH₅O⁺ Ions in Gas Phase CID Experiment and Quantum Chemistry Calculation

1.
Department of Chemistry Jilin University, Changchun 130023; Changchun Institute of Applied Chemistry, Chinese Academia of Sciences

Received Date: 16 April 1990
Available Online: 15 August 1991

The structures of CH_5O~+ from two different reactions which are protonation of CH_3OH and association of CH_3~+ with water were studied by means of CID experiment and MNDO semiempirical calculation The results showed that the CH_5O~+ ions produced from the above two pathways possess the same structure,CH_3OH_2~+.The value of kinetic energy release for the metastable decomposition CH_3OH_2~+→CH_2OH~++H_2 determined from the experiment is in od agreement with that from theoretical calculations. The transition state of above reaction were disscussed.
- CH₅O⁺; CID; MNDO
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A Study on CH5O+ Ions in Gas Phase CID Experiment and Quantum Chemistry Calculation

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通讯作者: 陈斌, bchen63@163.com

A Study on CH₅O⁺ Ions in Gas Phase CID Experiment and Quantum Chemistry Calculation