FIG. 5. Helative energies (in kcalmol-1) of the system and related molecules. Data for i.n its linear singlet ground state [denoted HCNH'(S) l arc from Hef. 88 (see also Hc£s. 29-31). At298K, of is225.0kcaimol .. 1; correction to 0 K assuming H238 K -·HoK of is the same as that of acetylene decreases this value to 224. '1 kcal. mol-1. Data for the singlet isomer are from Ref. H; for the triplet states (T) of from this work; for I-INC from Hef. 32; ionization potentials of C and N from ioni7.ation potentials of J:-1 2, and CH3 from data from JANAF tables. The various thermochemical data ·are summarized in the Appendix.
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