A THEORETICAL-STUDY ON THE INTERACTION OF DINITROGEN WITH RHODIUM

Authors
FANG TH MCKEE ML WORLEY SD
Citation
Th. Fang et al., A THEORETICAL-STUDY ON THE INTERACTION OF DINITROGEN WITH RHODIUM, Canadian journal of chemistry, 72(3), 1994, pp. 519-522
Citations number
27
Categorie Soggetti
Chemistry
Journal title
Canadian journal of chemistry → ACNP
ISSN journal
00084042
Volume
72
Issue
3
Year of publication
1994
Pages
519 - 522
Database
ISI
SICI code
0008-4042(1994)72:3<519:ATOTIO>2.0.ZU;2-W
Abstract
Ab initio theoretical computations have been performed for RhN2, Rh+N2 , Rh(N-2)(2), and Rh+(N-2)(2) species. The computed vibrational freque ncies and binding-energy trends are in qualitative accord with prior F TIR studies of N-2 interacting with supported Rh films. Computations o f the type described herein should be useful in aiding the assignment of observed infrared bands to specific surface species in future work.