Journal of Physical Chemistry A, Vol.101, No.28, 5082-5089, 1997
Reactions of Laser-Ablated Aluminum Atoms with Ammonia - Infrared-Spectra of Halnh2, Alnh2, and Halnh in Solid Argon
Pulsed laser-ablated Al atoms react with NH3 to give two major products, HAlNH2 and AlNH2, which are trapped in solid argon and identified from infrared spectra through isotopic substitution (N-15, D) and MP2 calculations of product structures and isotopic frequencies. The bent HAlNH molecule was a minor product.
Keywords:GAUSSIAN-BASIS SETS;MOLECULAR CALCULATIONS;REACTION-PRODUCTS;MP2 ENERGY;ROW ATOMS;AL ATOMS;METHANE;BONDS;NH3;GRADIENT