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Ultrafast X-ray absorption spectroscopy is a powerful tool to observe electronic and geometric structures of short-lived reaction intermediates. The ab initio FEFF9 code is applied to simulate the Pt L-3-edge XANES spectrum of the photocatalytic diplatinum ...
Poly(vinylpyrrolidone) (PVP)-stabilized Pd nanocubes were synthesized, deposited on a carbon-based support, and subsequently treated with UV-ozone (UVO) in order to eliminate the traces of PVP still present on the surface. Cubes, being a thermodynamically ...
The ability to visualize molecular structure in the course of a chemical reaction or a biological function has been a dream of scientists for decades. X-ray absorption spectroscopy (XAS) is ideal in this respect because it is chemically selective and can b ...
The local atomic structure around the central iron of the synthetic soluble analog of malarial pigment in acetic acid solution and with addition of chloroquine as found by X-ray absorption spectroscopy is reported. The special interest was drawn to the axi ...
The photocycle of rhenium carbonyl complexes, type facial-[Re(L)(CO)3(diimine)]n [L=halide / n=0, L=4-Ethyl-pyridine (Etpy)- Imidazole (ImH) /n=+1, diimine= bpy , 10- phenanthroline (phen), 4,4'-dimethyl-2,2'-bpy (dmb)] was studied using a set of ultrafast ...
The need to visualize molecular structure in the course of a chemical reaction, a phase transformation or a biological function has been a dream of scientists for decades. The development of time-resolved X-ray and electron-based methods is making this tru ...
Catalase and methaemoglobin have very similar haem groups, which are both ferric, yet catalase decomposes hydrogen peroxide to water and oxygen very efficiently, while methaemoglobin does not. Structural studies have attributed this behaviour to their diff ...
Solvation dynamics, the process of solvent reorganization upon electronic excitation of a solute, is central to our understanding chemical reactions in liquid phase. Ultrafast optical studies of solvation dynamics have so far been carried out on polyatomic ...
The local atomic structure around iron atoms of two synthetic analogues of malarial pigment product is characterized by iron K-edge X-ray absorption fine structure spectroscopy (XAFS). Malarial pigment, also termed hemozoin, is a condensed phase of ferripr ...
A comprehensive theoretical study on the electronic absorption spectra of a representative group of organic dyes (L0, D4, D5, C217, and JK2) employed in dye-sensitized solar cell devices is reported. A benchmark evaluation on different time-dependent densi ...