Matrix Infrared Spectroscopic and Theoretical of the Difluoroamino Metal Fluoride Molecules: F<sub>2</sub>NMF (M = Cu, Ag, Au)

Abstract

The difluoroamino coinage metal fluoride molecules F<sub>2</sub>NMF (M = Cu, Ag, Au) have been made via spontaneous reactions of coinage metals and NF<sub>3</sub> in solid argon and neon matrixes during sample annealing without formation of the M­(NF<sub>3</sub>) complexes. Comparisons between the matrix infrared spectra and the density functional frequency calculations provide strong support for identification of the F<sub>2</sub>NMF molecules, which are found to have doublet ground states with <i>C</i><sub>2<i>v</i></sub> or near <i>C</i><sub>2<i>v</i></sub> geometries. The F<sub>2</sub>NCuF molecule can isomerize to the less stable FNCuF<sub>2</sub> isomer upon UV–visible irradiation, while no similar reactions were observed for the silver and gold species. The M–N bonds in the F<sub>2</sub>NMF molecules are stronger than those in the FNMF<sub>2</sub> isomers with the Ag–N bond being longest and weakest in both cases

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