IUPAC critical evaluation of thermochemical properties of selected radicals. Part I

Branko Ruscic, James E. Boggs, Alexander Burcat, Attila G. Császár, Jean Demaison, Rudolf Janoschek, Jan M.L. Martin, Melita L. Morton, Michel J. Rossi, John F. Stanton, Péter G. Szalay, Phillip R. Westmoreland, Friedhelm Zabel, Tibor Bérces

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267 Citations (Scopus)

Abstract

This is the first part of a series of articles reporting critically evaluated thermochemical properties of selected free radicals. The present article contains datasheets for 11 radicals: CH, CH2(triplet), CH2(singlet), CH3, CH2OH, CH3O, CH3CO, C2H5O, C6H5CH 2, OH, and NH2. The thermochemical properties discussed are the enthalpy of formation, as well as the heat capacity, integrated heat capacity, and entropy of the radicals. One distinguishing feature of the present evaluation is the systematic utilization of available kinetic, spectroscopic and ion thermochemical data as well as high-level theoretical results.

Original languageEnglish
Pages (from-to)573-588
Number of pages16
JournalJournal of Physical and Chemical Reference Data
Volume34
Issue number2
DOIs
Publication statusPublished - Jan 1 2005

Keywords

  • Critical evaluation
  • Enthalpy of formation
  • Free radicals
  • Thermochemical properties

ASJC Scopus subject areas

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

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    Ruscic, B., Boggs, J. E., Burcat, A., Császár, A. G., Demaison, J., Janoschek, R., Martin, J. M. L., Morton, M. L., Rossi, M. J., Stanton, J. F., Szalay, P. G., Westmoreland, P. R., Zabel, F., & Bérces, T. (2005). IUPAC critical evaluation of thermochemical properties of selected radicals. Part I. Journal of Physical and Chemical Reference Data, 34(2), 573-588. https://doi.org/10.1063/1.1724828