Structure and optical properties of high-energy nitrogen clusters and dimers on their basis | Izvestiya vuzov. Fizika. 2022. № 12. DOI: 10.17223/00213411/65/12/60

Structure and optical properties of high-energy nitrogen clusters and dimers on their basis

The Raman, infrared, and visible / ultraviolet spectras of stable nitrogen clusters N₄ and N₆ are investigated within the framework of the density functional theory and the time density functional theory. Possible configurations of dimers, in which two clusters are connected by van der Waals forces or covalent bonds by means of "molecular bridges", are considered. It has been found that the most effective “bridges” are ions of light metals Mg and Be: the energy of their binding with nitrogen clusters lies in the range 2.67-4.74 eV. The spectra of dimers have been calculated, which makes it possible to detect their formation by spectrometric methods.

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Keywords

nitrogen clusters, HEDM, dimers, Raman spectra, IR spectra, visible / ultraviolet spectra, density functional theory, time-dependent density functional theory

Authors

Name	Organization	E-mail
Merinov V.B.	National Research Nuclear University “MEPHI”	merinov.v.b@gmail.com

Всего: 1

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