Research Projects
Phosphorous K-edge X-ray Absorption Spectroscopy (C)
Frontier MO diagram for a Phosphine Ligand
The importance of organic phosphines in organometallic chemistry is indisputable. The extention of current spectroscopic techniques with XAS is promising in studying phosphorous compounds. The P K-edge XAS directly probes the phosphorous-based orbitals, i.e. the metal-phosphorous bond. In addition, structural information can be obtained by analyzing the post-edge EXAFS region of the XAS spectrum. By introducing the P K-edge XAS technique, my research aims to provide complimentary ground state information to NMR spectroscopy. This can give additional insight into coordination chemical and catalytic problems directly at the level of molecular orbitals.
Publications
Szabo M, Szilagyi RK, Bencze L, "Density functional studies of [(alkoxy-carbonyl)methyl]cobalt tricarbonyl triphenylphosphine complexes: an alpha-ester hapto3-coordination." Inorg. Chim. Acta 344 158-168 (2003)
Solomon EI, Hedman B, Hodgson KO, Dey A, Szilagyi RK, "Ligand K-edge X-ray absorption spectroscopy: covalency of ligand-metal bonds." Coord. Chem. Rev. 249 97-129 (2005)
Personnel:
Robert Szilagyi
Keywords:
Computational, Inorganic, Physical, Spectroscopy, Structure
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