The Raman, infrared, and visible/ultraviolet spectra of stable nitrogen clusters N4 and N6 are investigated within the framework of the density functional theory and the time-dependent density functional theory. Possible configurations of dimers in which two clusters are connected by the 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 Mg and Be metals: 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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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 60–70, December, 2022.
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Merinov, V.B. Structure and Optical Properties of High-Energy Nitrogen Clusters and Dimers on their Basis. Russ Phys J 65, 2109–2119 (2023). https://doi.org/10.1007/s11182-023-02879-3
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DOI: https://doi.org/10.1007/s11182-023-02879-3