INFRARED SPECTROSCOPIC AND DENSITY FUNCTIONAL THEORETICAL INVESTIGATION OF THE REACTION PRODUCTS OF LASER ABLATED SCANDIUM AND TITANIUM ATOMS WITH NITRIC OXIDE
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Date
1998
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Publisher
Ohio State University
Abstract
During codeposition onto a spectroscopic window at 6-7 K, scandium and titanium atoms formed by the laser ablation process react with nitric oxide in excess argon to form several new mixed oxide-nitride species. Argon matrix isolation infrared spectra reveal the presence of the metal insertion products for both metals as well as $\eta^{1}$ and $\eta^{2}$ bound nitrosyl complexes in the scandium system, the latter of which shows a significant NO bond activation by cold Sc metal addition to the NO diatomic molecule. The spectroscopic assignments will be supported by the effects of isotopic substitution in the NO precursor $(^{14}N^{16}O, ^{15}N^{16}O, ^{15}N^{18}O)$ and by analogy of these effects with those predicted by density functional calculations on suspected product species.
Description
Author Institution: Department of Chemistry, University of Virginia; Department of Chemistry, STC-230-3, NASA Ames Research Center