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Updated: Jul 10, 2026

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
Published on: June 8, 2022
G2, G3, and complete basis set calculations on the thermodynamic properties of triazane
1Department of Chemistry, Cleveland State University, 2121 Euclid Avenue, Cleveland, OH, 44115, USA, d.ball@csuohio.edu.
Abstract:
As a follow-up study to our study on tetrazane (N(4)H(6)), we present computed thermodynamic properties of triazane (N(3)H(5)). Calculated properties include optimized geometries, infrared vibrations, enthalpy of formation, enthalpy of combustion, and proton affinities. We have also mapped the potential energy surface as the molecule is rotated about the N-N bond. We have predicted a specific enthalpy of combustion for triazane of about -20 kJ g(-1). Figure Schematic diagram of the dielectric barrier discharge (left) and typical temporal profiles of voltage and current, as obtained from the simulations (right).
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