The energy of R-NO2 bond dissociation in mononitroalkanes

Citation
Ea. Miroshnichenko et al., The energy of R-NO2 bond dissociation in mononitroalkanes, CHEM PHYS R, 17(8), 1998, pp. 1423-1427
Citations number
10
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS REPORTS
ISSN journal
10741550 → ACNP
Volume
17
Issue
8
Year of publication
1998
Pages
1423 - 1427
Database
ISI
SICI code
1074-1550(1998)17:8<1423:TEORBD>2.0.ZU;2-C
Abstract
Based on the results of experimental studies and literature data, enthalpie s of formation of mononitroalkanes in gas phase are recommended. The enthal py values are used for thermochemical assessment of the dissociation energy of nitro-groups in these compounds. The available most reliable measuremen ts of the activation energy for thermal nitromethane decomposition (nitrogr oup elimination) are shown to agree satisfactorily with the bond energy det ermined by the thermochemical method. Starting with C-4 the energy of nitro group dissociation in mononitroalkanes is virtually independent of the radi cal length. The dissociation energy of this bond in branched alkanes also r emains nearly invariable. R-H bonds in alkanes also behave similarly.