Abstract
The heats of formation at 298.15 K of important atmospheric sulfur species were calculated using a high level of electronic correlation, CCSD(T), extrapolated to the complete basis set limit. Our results for SH, CH 3SH, CH 3S, CH 3SO and CH 3SO 2, are, respectively, 34.4, −5.3, 29.7, −16.8 and −53.1 kcal mol −1 . By carefully choosing the chemical reactions, this investigation reports the most accurate Δ H 0 f values available to date for these species.
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