The Electronic Structure of AlCH2: A Rigorous Ab Initio Study
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In this paper a detailed ab initio study of the A1CH2 molecule is presented. In addition, work in this laboratory is being pursued on other organoaluminum compounds. This represents the beginning of a systematic and rigorous theoretical examination of complexes between Al, Al2, Al3, and Al4, and the fundamental organic fragments and molecules: C, CH2, CH3, C2, C2H, C2H2, C2H3, C2H4. The results should have significant impact on the relationship between organometallic chemistry, heterogeneous catalysis, and surface chemistry through insight into the chemical bonding between aluminum and organic fragments.