Al-H bond formation in hydrated aluminum oxide cluster anions |
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Authors: | Das Ujjal Raghavachari Krishnan |
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Institution: | Department of Chemistry, Indiana University Bloomington, Indiana 47405-7102, USA. |
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Abstract: | 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-,xy) 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. |
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