Abstract:
:Following our recent study on triazane, we present a follow-up study on the thermodynamic properties of triazane's unsaturated analog, triazene. We predict optimized structural parameters, vibrational frequencies, enthalpies of formation, enthalpies of combustion, specific enthalpies of combustion, and proton affinities. Our results indicate that the cis form of triazene has a specific enthalpy of combustion of -15.2 kJ g(-1) and the trans form has a specific enthalpy of combustion of -14.7 kJ g(-1).
journal_name
J Mol Modeljournal_title
Journal of molecular modelingauthors
Richard RM,Ball DWdoi
10.1007/s00894-007-0248-xsubject
Has Abstractpub_date
2008-01-01 00:00:00pages
21-7issue
1eissn
1610-2940issn
0948-5023journal_volume
14pub_type
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