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 (+2 others)
2005 Journal of Physical and Chemical Reference Data  
573 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, CH 2 (triplet), CH 2 (singlet), CH 3 , CH 2 OH, CH 3 O, CH 3 CO, C 2 H 5 O, C 6 H 5 CH 2 , OH, and NH 2 . 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
more » ... evaluation is the systematic utilization of available kinetic, spectroscopic and ion thermochemical data as well as high-level theoretical results.
doi:10.1063/1.1724828 fatcat:gf4lx5kipzc4lmehqmmufrwixa