Binuclear Carbonylheptalenechromium Complexes: Partition of Heptalene into a Complexed Heptafulvene Subunit and an Uncomplexed 1,3‐Diene Subunit for Coordination to a Multiply Bonded Pair of Chromium Atoms
Abstract:The possibility of extending carbonylchromium chemistry of the bicyclic non‐benzenoid aromatic hydrocarbon heptalene from the known mononuclear (η6‐C12H10)Cr(CO)3 to binuclear derivatives of the type C12H10Cr2(CO)n (n = 6, 5, 4, 3) is examined by density functional theory. The lowest energy C12H10Cr2(CO)6 structures have each heptalene ring bonded to an independent Cr(CO)3 unit as a hexahapto or heptahapto ligand with Cr···Cr distances too long (4.4 to 6.0 Å) for direct bonding. The lowest energy C12H10Cr2(CO)… Show more
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