14N NQR and the Molecular Charge Topology in Coordinated Ammonia

Abstract:

14N NQR spectra of [Co(NH3)6] • 3C1, [Co(NH3)5CO3] • NO3, [Zn(NH3)4] • 2C1, [Zn(NH3)4] (BF4)2, and [Ag(NH3)4] • NO3 were obtained at 77 K. The results, analyzed by means of the topology of the charge distribution obtained from ab-initio MO calculations of free and of a model of coordinated NH3, showed that bonding to the metal-ion produces a strong decrease (Co≫Zn≫Ag) in the N nonbonded density (“lone pair”) and an increase in the bonded maxima found in the N-H bond direction of the N valence shell. © 1992, Verlag der Zeitschrift für Naturforschung. All rights reserved.

Año de publicación:

1992

Keywords:

• complex
• Ammonia
• Topology
• Charge distribution
• 14N NQR

Fuente:

scopus