Journal of Physical Chemistry, Vol.99, No.20, 7913-7924, 1995
Reactions of Beryllium Species with N-2 - Infrared-Spectra and Quantum-Chemical Calculations of Beryllium Dinitrogen Complexes in Solid Argon and Nitrogen
Pulsed-laser-ablated beryllium atoms were reacted with N-2 in argon and nitrogen matrices to yield new beryllium-nitrogen species. Quantum chemical calculations were done to assist in identification of product molecules. The Be + N-2 reaction is endothermic but the Be + Be + N-2 reaction is exothermic; hence, reactions with N-2 require excess energy in Be from the ablation process or Be-2 before N-2 addition can proceed. The major argon matrix deposition products give a sharp band at 1823.4 cm(-1), which decreases on photolysis and annealing and is assigned to NNBeNN on the basis of intermediate isotopic bands observed in N-14,15(2) experiments, and a band system at 1876.1 cm(-1), which decreases on photolysis, grows on annealing, shows isotopic structure for a single N-2 motion, and is assigned to BeBeNN. Annealing in solid argon produced Be-2(N-2)(y) cluster species analogous to those observed in solid nitrogen. The major nitrogen matrix product at 1890 cm(-1) is assigned to NNBeBeNN. A simpler product spectrum results in solid nitrogen because of the immediate availability of the N-2 reagent.