Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values

The current Active Thermochemical Tables (ATcT) results for the bond dissociation energies of the homonuclear diatomics H 2 , C 2 , N 2 , O 2 , and F 2 are reported and discussed. The role and origin of the distributed provenance of ATcT values is analyzed. Ramifications in terms of the enthalpies o...

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Veröffentlicht in:Theoretical chemistry accounts 2014, Vol.133 (1), Article 1415
Hauptverfasser: Ruscic, Branko, Feller, David, Peterson, Kirk A.
Format: Artikel
Sprache:eng
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Zusammenfassung:The current Active Thermochemical Tables (ATcT) results for the bond dissociation energies of the homonuclear diatomics H 2 , C 2 , N 2 , O 2 , and F 2 are reported and discussed. The role and origin of the distributed provenance of ATcT values is analyzed. Ramifications in terms of the enthalpies of formation of H, C, N, O, and F atoms, which are fundamental thermochemical quantities, are presented. In addition, the current ATcT bond dissociation energies and enthalpies of formation of HF, CH, CO, CN, NO, OH, CO 2 , H 2 O, and triplet and singlet CH 2 are also reported.
ISSN:1432-881X
1432-2234
DOI:10.1007/s00214-013-1415-z