Abstract
Two [RuCl(Qn)(Pro)NO] (Qn = 8-quinolinol, Pro = L-proline) isomer complexes, in which the O atom of L-proline coordinated trans to NO (Complex a) and the O atom of 8-quinolinol coordinated trans to NO (Complex b), were synthesized. Their structures were identified with X-ray diffraction and compared with optimized geometries by DFT calculations at the B3LYP level. The electronic absorption and IR spectroscopy of the isomers were experimentally measured and theoretically assigned, the front molecular orbitals were analyzed. Moreover, the photodynamic reaction for the isomers was investigated with time resolved FTIR spectroscopy, photo induced NO release of the isomers were observed. The effect of ligands and configuration on photodynamic properties of the isomers was discussed. The structural and dynamic analyses combined with DFT calculations provide insights into the physicochemical properties and reactivity of the isomeric complexes, which makes a foundation for their potential applications.
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