A theoretical study of the nitrogen clusters formed from the ions N3-, N5+, and N5-

Laura Gagliardi; Giorgio Orlandi; Stefano Evangelisti; Björn O. Roos

doi:10.1063/1.1370063

A theoretical study of the nitrogen clusters formed from the ions N₃^-, N₅⁺, and N₅^-

Laura Gagliardi
, Giorgio Orlandi
, Stefano Evangelisti
, Björn O. Roos

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

73 Scopus citations

Abstract

The formation of the N₁₀ and N₈ nitrogen clusters from the charged N₃^-, N₅^-, and N₅⁺ ions was analysed. The molecular and structural properties of the ions were studied. The stability of the synthesis of N₅^- anion was established by the structural and vibrational properties. A multiconfigurational self-consistent field wavefunction and second order perturbation theory was used to calculate the vibrational frequencies for the ion pairs.

Original language	English (US)
Pages (from-to)	10733-10737
Number of pages	5
Journal	Journal of Chemical Physics
Volume	114
Issue number	24
DOIs	https://doi.org/10.1063/1.1370063
State	Published - Jun 22 2001

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10.1063/1.1370063

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abstract = "The formation of the N10 and N8 nitrogen clusters from the charged N3-, N5-, and N5+ ions was analysed. The molecular and structural properties of the ions were studied. The stability of the synthesis of N5- anion was established by the structural and vibrational properties. A multiconfigurational self-consistent field wavefunction and second order perturbation theory was used to calculate the vibrational frequencies for the ion pairs.",

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AU - Gagliardi, Laura

AU - Orlandi, Giorgio

AU - Evangelisti, Stefano

AU - Roos, Björn O.

PY - 2001/6/22

Y1 - 2001/6/22

N2 - The formation of the N10 and N8 nitrogen clusters from the charged N3-, N5-, and N5+ ions was analysed. The molecular and structural properties of the ions were studied. The stability of the synthesis of N5- anion was established by the structural and vibrational properties. A multiconfigurational self-consistent field wavefunction and second order perturbation theory was used to calculate the vibrational frequencies for the ion pairs.

AB - The formation of the N10 and N8 nitrogen clusters from the charged N3-, N5-, and N5+ ions was analysed. The molecular and structural properties of the ions were studied. The stability of the synthesis of N5- anion was established by the structural and vibrational properties. A multiconfigurational self-consistent field wavefunction and second order perturbation theory was used to calculate the vibrational frequencies for the ion pairs.

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A theoretical study of the nitrogen clusters formed from the ions N₃^-, N₅⁺, and N₅^-

Abstract

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