On the nature of bonding in N-5(+) ion

Citation
R. Ponec et al., On the nature of bonding in N-5(+) ion, J MOL ST-TH, 545, 2001, pp. 255-264
Citations number
74
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
545
Year of publication
2001
Pages
255 - 264
Database
ISI
SICI code
0166-1280(20010709)545:<255:OTNOBI>2.0.ZU;2-Y
Abstract
The structure of recently synthetized N-5(+) ion was analyzed using two rec ently proposed methodologies, namely the generalized population analysis an d the Fermi hole analysis. It has been shown that as a remnant of its synth etic precursor, the azide ion namely, the molecule contains the system of t wo partially perturbed three-center four-electron (3c-4e) bonds localized i n the corresponding terminal NNN fragments. This structural assignment agre es with recently proposed analyses based on other methodologies. (C) 2001 E lsevier Science BN. All rights reserved.