A theoretical study of the nitrogen clusters formed from the ions N-3(-), N-5(+), and N-5(-)

Authors
Gagliardi, L Orlandi, G Evangelisti, S Roos, BO
Citation
L. Gagliardi et al., A theoretical study of the nitrogen clusters formed from the ions N-3(-), N-5(+), and N-5(-), J CHEM PHYS, 114(24), 2001, pp. 10733-10737
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
24
Year of publication
2001
Pages
10733 - 10737
Database
ISI
SICI code
0021-9606(20010622)114:24<10733:ATSOTN>2.0.ZU;2-H
Abstract
The results of a theoretical study on the formation of the nitrogen cluster N-10 from the ionic species N-5(+) and N-5(-) are presented. The possibili ty to form N-8 from N-5(+) and N-3(-) has also been studied but no stable f orm was found. Structural and vibrational data are given for the different clusters. It is suggested that the anion N-5(-) might be stable enough to b e synthesized. The calculations have been carried out using multiconfigurat ional self-consistent-field wave functions and second-order perturbation th eory. (C) 2001 American Institute of Physics.