THEORETICAL-STUDY OF SPECIES FORMED BY I-A AND I-B METALS OR IONS ANDA CN LIGAND

Authors
BOUSLAMA L DAOUDI A MESTDAGH H ROLANDO C SUARD M
Citation
L. Bouslama et al., THEORETICAL-STUDY OF SPECIES FORMED BY I-A AND I-B METALS OR IONS ANDA CN LIGAND, Journal of molecular structure. Theochem, 330, 1995, pp. 187-190
Citations number
23
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
330
Year of publication
1995
Pages
187 - 190
Database
ISI
SICI code
0166-1280(1995)330:<187:TOSFBI>2.0.ZU;2-5
Abstract
Multireference second-order perturbation calculations have been carrie d out for copper and sodium complexes involving one CN ligand. Neutral compounds are strongly linked, cyanides M-CN being more stable than i socyanides M-NC (M = Cu, Na) as in the case of the pair HCN/HNC. Catio ns are much less strongly linked, Cu-NC+ being predicted to be the onl y system having a fairly bound structure, at variance with the dominan ce of the cyanide form in the HCN+/HNC+ pair.