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Determination of the Kinetic Energy Release Originating from the Reverse Critical Energy in Unimolecular ion Dissociation
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  • Determination of the Kinetic Energy Release Originating from the Reverse Critical Energy in Unimolecular ion Dissociation
  • Determination of the Kinetic Energy Release Originating from the Reverse Critical Energy in Unimolecular ion Dissociation
저자명
Yeh. In-Chul,Lee. Tae-Geol,Kim. Myung-Soo
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1994년|15권 3호|pp.241-245 (5 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

A method has been developed to estimate the kinetic energy release originating from the reverse critical energy in unimolecular ion dissociation. Contribution from the excess energy was estimated by RRKM theory, the statistical adiabatic model and the modified phase space calculation. This was subtracted from the experimental kinetic energy release distribution (KERD) via deconvolution. The present method has been applied to the KERDs in $H_2$, loss from $C_6H_6^+$ and HF loss from ${CH_2CF_2}^+$. In the present formalism, not only the energy in the reaction coordinate but also the energy in some transitional vibrational degrees of freedom at the transition state is thought to contribute to the experimental kinetic energy release. Details of the methods for treating the transitional modes are found not to be critical to the final outcome. For a reaction with small excess energy and large reverse critical energy. KERD is shown to be mainly governed by the reverse critical energy.