Planar Tetracoordinate Carbon Atoms Centered in Bare Four-membered Rings of Late Transition Metals

Planar tetracoordinate carbons (ptC's) can be stabilized by four-membered ring perimeters composed of four bare transition metal atoms. DFT analyses of the MOs, electronic structures, energies, and magnetic properties of these CM4 species (where M represents isoelectronic combinations of Cu, Ni, Ag, and Pd) reveal striking similarities with main group metal ptC analogs (e.g., CAl2Si2, CAl4Na-, and C5Li2). While the CCu42+, CAg42+, and CNiCu3+ ions have the largest HOMO-LUMO sepns., CCu42+ is the best candidate for detection by gas-phase photoelectron spectroscopy. [on SciFinder (R)]


Published in:
Inorganic Chemistry, 45, 22, 8902-8906
Year:
2006
Keywords:
Note:
CAN 146:33597
65-5
General Physical Chemistry
Center for Computational Chemistry and Department of Chemistry,University of Georgia,Athens,GA,USA.
Journal
0020-1669
written in English.
7440-44-0D (Carbon) Role: PRP (Properties) (tetracoordinate; theor. study of planar tetracoordinate carbon atoms centered in bare four-membered rings of late transition metals); 380240-75-5 (Copper carbide (Cu4C); 915971-34-5; 915971-36-7; 915971-37-8 (Copper nickel carbide (Cu2Ni2C); 915971-38-9; 915971-39-0 (Copper lithium nickel carbide (CuLiNi3C); 915971-40-3; 915971-41-4 (Palladium silver carbide (Pd2Ag2C) Role: PRP (Properties) (theor. study of planar tetracoordinate carbon atoms centered in bare four-membered rings of late transition metals)
Laboratories:




 Record created 2007-10-22, last modified 2018-03-17


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