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Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
Planar tetracoordinate carbon atoms centered in bare four-membered rings of late transition metals
Debjani Roy1, Clémence Corminboeuf, Chaitanya S Wannere
1Center for Computational Chemistry and Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA.
Abstract:
Planar tetracoordinate carbons (ptC's) can be stabilized by four-membered ring perimeters composed of four bare transition metal atoms. DFT analyses of the molecular orbitals, 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 analogues (e.g., CAl2Si2, CAl4Na-, and C5Li2). While the CCu4(2+), CAg4(2+), and CNiCu3+ ions have the largest HOMO-LUMO separations, CCu4(2+) is the best candidate for detection by gas-phase photoelectron spectroscopy.
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