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

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

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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.

Original languageEnglish (US)
Pages (from-to)10733-10737
Number of pages5
JournalJournal of Chemical Physics
Volume114
Issue number24
DOIs
StatePublished - Jun 22 2001

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