Aromaticity of tri- and tetranuclear metal-carbonyl clusters based on magnetic criteria

Recently, the sigma-aromaticity model proposed for cyclopropane by Dewar was employed to account for the stability of Group 8 trinuclear metal-carbonyl compds. [M3(CO)12] (M = Fe, Ru, Os). This paper further examines this hypothesis and provides the first quant. evidence for the sigma-arom./antiarom. nature of the [M3(CO)12]/[M4(CO)16] species based on structural and nucleus-independent chem.-shift anal. In addn., the extent of electron delocalization in tetrahedral [M4(CO)14] and butterfly [M4(CO)15] is analyzed and compared to prototype cycloalkanes. While remarkable analogies exist between metal-carbonyls and cycloalkanes, transition metals provide addnl. overlap possibilities that affect both the ring strain and the magnetic properties of metal-carbonyl rings and cages. [on SciFinder (R)]


Published in:
Chemistry - A European Journal, 13, 3, 978-984
Year:
2007
Keywords:
Note:
CAN 146:337413
22-10
Physical Organic Chemistry
Department of Chemistry and Center for Computational Chemistry,University of Georgia,Athens,GA,USA.
Journal
0947-6539
written in English.
75-19-4 (Cyclopropane); 287-23-0 (Cyclobutane); 822-35-5 (Cyclobutene); 1120-53-2 (Cyclobutadiene); 15243-33-1; 15696-40-9; 17685-52-8 (Triiron dodecacarbonyl); 100447-70-9; 111905-46-5; 115227-28-6; 237427-57-5; 929534-23-6; 929534-24-7; 929534-25-8; 929534-26-9; 929534-27-0; 929534-30-5 Role: PRP (Properties) (aromaticity of tri- and tetranuclear metal-carbonyl clusters based on magnetic criteria)
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 Record created 2007-10-22, last modified 2018-01-28


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