Theoretical Investigation of the Electronic Structure and Properties of N3−, N3, and N3+
- 15 August 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (4) , 1821-1829
- https://doi.org/10.1063/1.1676315
Abstract
An ab initio LCAO MO SCF calculation using a Gaussian basis was carried out on N3−, N3, and N3+. From the results of the calculation, some of the physical and electronic properties of these species are discussed and compared to experiment where possible.Keywords
This publication has 22 references indexed in Scilit:
- First-Order Wavefunctions, Orbital Correlation Energies, and Electron Affinities of First-Row AtomsThe Journal of Chemical Physics, 1969
- Kinetics and stoichiometry of the reaction between manganese(III) and hydrazoic acid in acid perchlorate solutionInorganic Chemistry, 1969
- Kinetic study of the reduction of cobalt(III) by hydrazoic acid in aqueous perchlorate mediaInorganic Chemistry, 1968
- Geometry of Ozone and Azide Ion in Ground and Certain Excited StatesThe Journal of Chemical Physics, 1967
- Study of the Electronic Structure of Molecules. IV. All-Electron SCF Wavefunction for the Ground State of PyridineThe Journal of Chemical Physics, 1967
- Electronic Correlation in Atoms and MoleculesAdvances in Chemical Physics, 1965
- Ionization and Dissociation of Hydrazoic Acid and Methyl Azide by Electron ImpactJournal of the American Chemical Society, 1958
- Fundamental vibration frequencies and force constants in the azide ionTransactions of the Faraday Society, 1957
- The dissociation energy of the nitrogen moleculeProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956
- Thermochemistry and reactivity of the azides - II. Lattice energies of ionic azides, electron affinity and heat of formation of the azide radical and related propertiesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956