Comparison between hydrogen‐transfer and fluoro‐transfer reactions on the microcanonical unimolecular rate constants

Wen‐Lin ‐L Feng; Shao‐Wen ‐W Zhang; Yan Wang; Jun‐Nan ‐N Wu; Zong‐He ‐H Li

doi:10.1002/cjoc.19950130503

Comparison between hydrogen‐transfer and fluoro‐transfer reactions on the microcanonical unimolecular rate constants

Wen‐Lin ‐L Feng^*, Shao‐Wen ‐W Zhang, Yan Wang, Jun‐Nan ‐N Wu, Zong‐He ‐H Li

^*此作品的通讯作者

Beijing Normal University

科研成果: 期刊稿件 › 文章 › 同行评审

摘要

The microcanonical rate constants for the hydrogen‐transfer process of HCCF (reaction 7) and the fluoro‐transfer process of FCCF (reaction 8) are carried out with tunneling correction and curvature correction. The results show that the tunneling effects and curvature effects on the rate constant of reaction 7 is quite different from that of reaction 8. The rate constants for different rotational states are also studied for these reactions.

源语言	英语
页（从-至）	391-395
页数	5
期刊	Chinese Journal of Chemistry
卷	13
期	5
DOI	https://doi.org/10.1002/cjoc.19950130503
出版状态	已出版 - 9月 1995
已对外发布	是

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Feng, WL. L., Zhang, SW. W., Wang, Y., Wu, JN. N., & Li, ZH. H. (1995). Comparison between hydrogen‐transfer and fluoro‐transfer reactions on the microcanonical unimolecular rate constants. Chinese Journal of Chemistry, 13(5), 391-395. https://doi.org/10.1002/cjoc.19950130503

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abstract = "The microcanonical rate constants for the hydrogen‐transfer process of HCCF (reaction 7) and the fluoro‐transfer process of FCCF (reaction 8) are carried out with tunneling correction and curvature correction. The results show that the tunneling effects and curvature effects on the rate constant of reaction 7 is quite different from that of reaction 8. The rate constants for different rotational states are also studied for these reactions.",

keywords = "Microcanonical rate constant, curvature correction, tunneling effect",

author = "Feng, {Wen‐Lin ‐L} and Zhang, {Shao‐Wen ‐W} and Yan Wang and Wu, {Jun‐Nan ‐N} and Li, {Zong‐He ‐H}",

year = "1995",

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T1 - Comparison between hydrogen‐transfer and fluoro‐transfer reactions on the microcanonical unimolecular rate constants

AU - Feng, Wen‐Lin ‐L

AU - Zhang, Shao‐Wen ‐W

AU - Wang, Yan

AU - Wu, Jun‐Nan ‐N

AU - Li, Zong‐He ‐H

PY - 1995/9

Y1 - 1995/9

N2 - The microcanonical rate constants for the hydrogen‐transfer process of HCCF (reaction 7) and the fluoro‐transfer process of FCCF (reaction 8) are carried out with tunneling correction and curvature correction. The results show that the tunneling effects and curvature effects on the rate constant of reaction 7 is quite different from that of reaction 8. The rate constants for different rotational states are also studied for these reactions.

AB - The microcanonical rate constants for the hydrogen‐transfer process of HCCF (reaction 7) and the fluoro‐transfer process of FCCF (reaction 8) are carried out with tunneling correction and curvature correction. The results show that the tunneling effects and curvature effects on the rate constant of reaction 7 is quite different from that of reaction 8. The rate constants for different rotational states are also studied for these reactions.

KW - Microcanonical rate constant

KW - curvature correction

KW - tunneling effect

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DO - 10.1002/cjoc.19950130503

M3 - Article

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VL - 13

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EP - 395

JO - Chinese Journal of Chemistry

JF - Chinese Journal of Chemistry

IS - 5

ER -

Comparison between hydrogen‐transfer and fluoro‐transfer reactions on the microcanonical unimolecular rate constants

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