Organometallic analogues of the Diels-Alder reaction: Molybdenum dimer + ethylene; molybdenum dimer + butadiene
- Arizona State Univ., Tempe, AZ (United States)
A theoretical study of the symmetry-concerted Diels-Alder analogue reactions of Mo{sub 2} with 1,3-butadiene and ethylene is presented. Structure optimizations indicated elongation of the Mo-Mo and C{double_bond}C bonds in the complexes. The optimized bond distances were found to be close to one known in organomolybdenum complexes. The presented potential surfaces indicated, in agreement with symmetry-concerted models, that the Mo{sub 2}-Eth complex formation is thermally forbidden, as the reaction has to proceed in the excited state, but the Mo{sub 2}-But complex may be formed in the ground state with addition of thermal energy.
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FG02-86ER13558
- OSTI ID:
- 457882
- Journal Information:
- Inorganic Chemistry, Vol. 33, Issue 18; Other Information: PBD: 31 Aug 1994
- Country of Publication:
- United States
- Language:
- English
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