Reactions of laser-ablated first-row transition metal atoms with nitrogen:: matrix infrared spectra of the MN, NMN and (MN)2 molecules

Pulsed-laser-ablated first-row transition metal atoms scandium through nickel dissociate sufficient N-2 for atom combination reactions to form MN molecules during condensation at 10 K. The MN molecules are identified by nitrogen-15 substitution and density functional calculations. In the case of chromium and iron, stable bent NCrN and NFeN molecules are formed. Scandium is the best example of the dimetal dinitride (ScN)(2), which is an open rhombus with fully reduced dinitrogen. Density functional theory calculations provide vibrational frequencies that help support the identification of these new molecules. (C) 1998 Elsevier Science B.V. All rights reserved.