O VOZMOZHNOSTI SUSCHESTVOVANIYA POLIATOMNYH MOLEKUL ELEMENTNOGO AZOTA
Authors:
1.
KNITU; KNRTU
2.
Kazanskiy filial Mezhvedomstvennogo Superkomp'yuternogo Centra RAN; Kazan' branch of the interdepartmental super-computer centerRAS
Type:
Article
eLocation:
Status:
Published
Received:
20.04.2023
Accepted:
01.08.2025
Published:
01.08.2025
Subject area:
UDC 546.17 + 544.183
Language:
Russian
Keywords:
азот, полиатомная молекула, молекулярная структура, nitrogen, polyatomic molecule, molecular structure, QCISD, G3
Abstract (English):
By using QCISD and G3 quantum-chemical calculation methods, the possibility of the existence of molecules with an even number of nitrogen atoms, N 4, N 6, N 8 and N 10, has been discussed. On the basis of the data obtained, the conclusion on the existence of only three species of nitrogen molecules with an even number of atoms of more than 2, namely N 4 with the forms of a regular tetrahedron and a rectangle and N 6 in a form resembling "open book" has been made. The values of bond lengths, valence and torsion angles in each of the named forms of elemental nitrogen have been presented.
By using QCISD and G3 quantum-chemical calculation methods, the possibility of the existence of molecules with an even number of nitrogen atoms, N 4, N 6, N 8 and N 10, has been discussed. On the basis of the data obtained, the conclusion on the existence of only three species of nitrogen molecules with an even number of atoms of more than 2, namely N 4 with the forms of a regular tetrahedron and a rectangle and N 6 in a form resembling "open book" has been made. The values of bond lengths, valence and torsion angles in each of the named forms of elemental nitrogen have been presented.
Keywords:
азот, полиатомная молекула, молекулярная структура, nitrogen, polyatomic molecule, molecular structure, QCISD, G3
азот, полиатомная молекула, молекулярная структура, nitrogen, polyatomic molecule, molecular structure, QCISD, G3
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