Experimental and theoretical angular and translational energy distributions for the reaction CN+D2→DCN+D

Jeng Han Wang, Kopin Liu, George C. Schatz, Marc Ter Horst

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33 引文 斯高帕斯(Scopus)

摘要

This paper presents new measurements of angular and translational energy distributions for the title reaction at a reagent kinetic energy of 5.8 kcal/mol, and compares them with the corresponding results from quasiclassical trajectory calculations based on an accurate global potential energy surface. The comparison of theory and experiment is generally good; however, the minor deviations that we find provide valuable information concerning errors in the potential energy surface. Both experiment and theory indicate that CN+D2 is a simple abstraction reaction, with predominantly backward-scattered angular distributions and about 37% of the available energy ending up in product translation. Strong dependence of the calculated angular and translational energy distributions on reagent kinetic energy is noted.

原文英語
頁(從 - 到)7869-7875
頁數7
期刊Journal of Chemical Physics
107
發行號19
DOIs
出版狀態已發佈 - 1997 十一月 15

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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