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Start Over Author "T.H. Fang" Journal canadian journal of chemistry
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1. A theoretical study on the interaction of dinitrogen with rhodium

Author

M.L. McKee, S. D. Worley, and T.H. Fang

Subjects
chemistry, Computational chemistry, Organic Chemistry, Ab initio, chemistry.chemical_element, General Chemistry, Catalysis, Rhodium
Abstract

Ab initio theoretical computations have been performed for RhN2, Rh+N2, Rh(N2)2, and Rh+(N2)2 species. The computed vibrational frequencies and binding-energy trends are in qualitative accord with prior FTIR studies of N2 interacting with supported Rh films. Computations of the type described herein should be useful in aiding the assignment of observed infrared bands to specific surface species in future work.

Published
1994
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