Computational Studies on Group 14 Elements (C, Si and Ge) in Organometallic and Biological Compounds.
Description:
A series of computational studies were carried out on Group 14 (C, Si and Ge) elements in organometallic and biological compounds. Theoretical studies on classical and H-bridged A3H3+ (A=C, Si and Ge) as p ligands with different organometallic fragments at B3LYP and B3P86 level reveal a reverse charge transfer from ligand to metal in Si and Ge complexes whereas in C complexes there is a small charge transfer from metal to ligand. The H-bridged complexes are more stable than the complexes base…
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Date:
May 2007
Creator:
Yu, Liwen
Partner:
UNT Libraries