TY  - JOUR
A1  - Mascarenhas, Eric Johnn
A1  - Fondell, Mattis
A1  - Büchner, Robby
A1  - Eckert, Sebastian
A1  - Vaz da Cruz, Vinícius
A1  - Föhlisch, Alexander
T1  - Photo-induced ligand substitution of Cr(CO)(6) in 1-pentanol probed by time resolved X-ray absorption spectroscopy
T2  - Physical chemistry, chemical physics : a journal of European Chemical Societies
N2  - Cr(CO)(6) was investigated by X-ray absorption spectroscopy. The spectral signature at the metal edge provides information about the back-bonding of the metal in this class of complexes. Among the processes it participates in is ligand substitution in which a carbonyl ligand is ejected through excitation to a metal to ligand charge transfer (MLCT) band. The unsaturated carbonyl Cr(CO)(5) is stabilized by solution media in square pyramidal geometry and further reacts with the solvent. Multi-site-specific probing after photoexcitation was used to investigate the ligand substitution photoreaction process which is a common first step in catalytic processes involving metal carbonyls. The data were analysed with the aid of TD-DFT computations for different models of photoproducts and signatures for ligand rearrangement after substitution were found. The rearrangement was found to occur in about 790 ps in agreement with former studies of the photoreaction.
Y1  - 2022
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/61871
SN  - 1463-9076
SN  - 1463-9084
VL  - 24
IS  - 30
SP  - 17979
EP  - 17985
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  -