On Symmetry-Concerted Organometallic Analogues of the Ethylene Dimerization |
| S. Roszak, H. Chojnacki Institute of Physical and Theoretical Chemistry, Technical University of Wrocław, Wyb. Wyspiańskiego 27, 50-370 Wrocław, Poland and K. Balasubramanian Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287-1604, USA |
| Received: March 22, 1995 |
| Dedicated to Professors Krzysztof Pigoń, Józef W. Rohleder and Zdzisław Ruziewicz on the occasion of their 70th birthday |
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| A theoretical study of the C2v symmetry-concerted reaction is presented for the addition of ethylene and molybdenum dimer. The potential curves corresponding to different self-consistent field closed shell configurations are studied. A comparison of ethylene dimerization and ethylene-Mo2 formation reactions indicates close similarities and applicability of the Woodward-Hoffmann model, developed originally for olefins, to organometallics. |
| DOI: 10.12693/APhysPolA.87.965 PACS numbers: 31.20.Ej |