4.6 Article

Correct Symmetry Treatment for X plus X Reactions Prevents Large Errors in Predicted Isotope Enrichment

期刊

JOURNAL OF PHYSICAL CHEMISTRY A
卷 123, 期 12, 页码 2320-2324

出版社

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.8b09024

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资金

  1. National Science Foundation [1122374]
  2. Gas Phase Chemical Physics Program of the US Department of Energy, Office of Basic Energy Sciences, Geosciences, and Biosciences [DE-SC0014901]
  3. U.S. Department of Energy (DOE) [DE-SC0014901] Funding Source: U.S. Department of Energy (DOE)

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Confusion over how to account for symmetry numbers when reactants are identical can cause significant errors in isotopic studies. An extraneous factor of 2 in the reaction symmetry number, as proposed in the literature, violates reaction equilibrium and causes huge enrichment errors in isotopic analysis. In actuality, no extra symmetry factor is needed with identical reactants.

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