On the possibility of the existence of molecular nitrogen allotropes
- Авторлар: Mikhailov O.V.1,2, Chachkov D.V.1,2
-
Мекемелер:
- Kazan National Research Technological University, Kazan
- Joint Supercomputer Center, Kazan Branch
- Шығарылым: Том 62, № 7 (2017)
- Беттер: 955-959
- Бөлім: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/167859
- DOI: https://doi.org/10.1134/S0036023617070142
- ID: 167859
Дәйексөз келтіру
Аннотация
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.
Авторлар туралы
O. Mikhailov
Kazan National Research Technological University, Kazan; Joint Supercomputer Center, Kazan Branch
Хат алмасуға жауапты Автор.
Email: ovm@kstu.ru
Ресей, Tatarstan, 420015; Tatarstan, 420015
D. Chachkov
Kazan National Research Technological University, Kazan; Joint Supercomputer Center, Kazan Branch
Email: ovm@kstu.ru
Ресей, Tatarstan, 420015; Tatarstan, 420015
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