Synthesis, structure, and electronic study of some group VII furoyl substituted complexes |
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| Authors: | Chad A. Snyder Nathan C. Tice Eric D. Emberton Daniel F. Hinson |
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| Affiliation: | a Department of Chemistry, Western Kentucky University, 1906 College Heights Blvd., TCCW 419, Bowling Green, KY 42101-3576, USA
b Department of Chemistry, Eastern Kentucky University, Richmond, KY 40475-3102, USA |
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| Abstract: | The reaction of fulvene 1 with TlOEt in THF affords [Tl{1,2-C5H3(COC4H3O)2}] (2) in 60% yield. Treatment of 2 with [MBr(CO)5] (M = Mn, Re) in benzene reflux gave [Mn{η5-1,2-C5H3(COC4H3O)2}(CO)3] (3A) and [Re{η5-1,2-C5H3(COC4H3O)2}(CO)3] (3B) in 61% and 66% yields, respectively. Diacyl complexes 3A and 3B were ring-closed to the pyridazine by treating with hydrazine hydrate in methanol at room temperature. Fulvene 1 and diacyl complexes 3A and 3B have been structurally characterized by X-ray crystallography. Additionally, the electronic structure of complexes 3A and 3B and their relaxed structures have been characterized with density functional calculations. Calculated vibrational frequencies are compared with the experimental characterizations. |
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| Keywords: | Furans Pyridazines Fulvenes Biomass X-ray crystallography Electronic structure |
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