气相CH5O+离子的研究碰撞诱导解离谱及量子化学计算

doi:10.3866/PKU.WHXB19910409

Acta Phys. -Chim. Sin. ›› 1991, Vol. 7 ›› Issue (04): 420-424.doi: 10.3866/PKU.WHXB19910409

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

Guo Chun-Xiao; Hou Dong-Yan; Liu Shu-Ying

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

Received:1990-04-16 Revised:1990-09-24 Published:1991-08-15
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Abstract

Abstract: 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 good agreement with that from theoretical calculations. The transition state of above reaction were disscussed.

Key words: CH₅O⁺, CID, MNDO

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 Phys. -Chim. Sin. 1991, 7(04), 420-424. doi: 10.3866/PKU.WHXB19910409

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

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