Al-H bond formation in hydrated aluminum oxide cluster anions.
Quantum chemical calculations have been performed to investigate the interaction of a water molecule with gas phase aluminum oxide cluster anions. While oxygen-rich clusters (AlxOy-,x<y) (including Al2O3- which resembles the stoichiometry of bulk alumina) form hydroxides as the end product, many aluminum-rich clusters (AlxOy-,x>y) generate metal hydrides. These hydride species are, in many cases, 30-35 kcal/mol more stable than their hydroxide counterparts. Our observations on such competing reaction pathways may be useful to understand the catalytic role of alumina nanoparticles in many chemical reactions.
Das
Ujjal
U
Department of Chemistry, Indiana University Bloomington, Indiana 47405-7102, USA.
Raghavachari
Krishnan
K