Speaker
Lars Hemmingsen
(U)
Description
Application of perturbed angular correlation (PAC) of γ-rays spectroscopy in coordination chemistry and biochemistry is well established [1]. Over the past few years we and our collaborators have applied this technique to elucidate structure and dynamics at metal sites in proteins. In addition, we have applied quantum chemical methods to explore how the spectroscopic properties are affected by change of molecular structure and of type of coordinating ligand. Recent results will be presented [2,3].
References
[1] Hemmingsen L., Sas K.N., Danielsen E., Chem. Rev. 2004, 104, 4027-4062
[2] Luczkowski, M.; Zeider, B.A.; Stachura, M.; Chakraborty, S.; Hemmingsen, L.; Huffman, D.L. Pecoraro, V.L. “Probing the Coordination Environment of the Human Copper Chaperone HAH1: Characterization of Hg(II) bridged Homodimeric Species in Solution” Chem.: Eur. J., 2013, 19, 9042-9049
[3] Arcisauskaité, V , Knecht, S , Sauer, SPA & Hemmingsen, LBS 2012, ' Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199 Hg compounds ' Physical Chemistry Chemical Physics, 14, 2651-2657
Primary author
Lars Hemmingsen
(U)
