1. pi.-Complexes of alkenes to trivalent aluminum
- Author
-
Jean Chey, Yuh Min Chook, Hyoun Sook Choe, Pamela R. Seida, Michelle Francl, and Elke Jensen
- Subjects
chemistry.chemical_classification ,Ethylene ,Organic Chemistry ,Gaussian orbital ,Ab initio ,chemistry.chemical_element ,Halide ,Molecular orbital theory ,Inorganic Chemistry ,Propene ,chemistry.chemical_compound ,Crystallography ,chemistry ,Aluminium ,Computational chemistry ,Physical and Theoretical Chemistry ,Inorganic compound - Abstract
The structures of simple π-complexes of aluminum alkyls and aluminum alkyl halides were explored with use of ab initio molecular orbital theory. Complexes of AlR 3−n Cl n (R=H, CH 3 ) with ethylene and propene were found to be stable intermediates, not transition structures. The energies of binding have been estimated by using post-Hartree-Fock techniques more...
- Published
- 1990
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