On the possibility of the existence of molecular nitrogen allotropes
- Autores: Mikhailov O.V.1,2, Chachkov D.V.1,2
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Afiliações:
- Kazan National Research Technological University, Kazan
- Joint Supercomputer Center, Kazan Branch
- Edição: Volume 62, Nº 7 (2017)
- Páginas: 955-959
- Seção: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/167859
- DOI: https://doi.org/10.1134/S0036023617070142
- ID: 167859
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Resumo
The possibility of the existence of nitrogen molecules with an even number of atoms of composition N4, N6, N8, and N10 has been discussed with the use of the QCISD and G3 quantum-chemical methods. From these data, a conclusion has been made that three new nitrogen allotropes with an even number of atoms in a molecule can exist, namely, N4 shaped as a rectangle and regular tetrahedron and N6 with a shape remotely resembling an “open book.” The bond lengths and bond and torsion angles in each of these molecules have been reported.
Sobre autores
O. Mikhailov
Kazan National Research Technological University, Kazan; Joint Supercomputer Center, Kazan Branch
Autor responsável pela correspondência
Email: ovm@kstu.ru
Rússia, Tatarstan, 420015; Tatarstan, 420015
D. Chachkov
Kazan National Research Technological University, Kazan; Joint Supercomputer Center, Kazan Branch
Email: ovm@kstu.ru
Rússia, Tatarstan, 420015; Tatarstan, 420015
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