High-Speed Machine Computation of Ideal Gas Thermodynamic Functions. II. The Diatomic Free Radicals of the Isotopic Hydrides of Oxygen and Sulfur

Abstract

The partition functions for the free radicals are obtained in closed form. They include terms to account for the special low‐temperature effects arising with these molecules. The splitting of the ²π ground state is complicated by the uncoupling of the electronic spin from the nuclear axis. In addition to this effect the partition function includes first‐order corrections for rotation‐vibration coupling, rotational stretching, and vibrational anharmonicity. Tables of thermal functions are computed on the NBS Eastern Automatic Computer—SEAC—from 50° to 5000°K for OH, OD, OT, SH, SD, and ST.