Chemistry - A European Journal
Chemistry - A European Journal
5 years ago

DFT-Supported Threshold Ionization Study of Chromium Biphenyl Complexes: Unveiling the Mechanisms of Substituent Influence on Redox Properties of Sandwich Compounds

DFT-Supported Threshold Ionization Study of Chromium Biphenyl Complexes: Unveiling the Mechanisms of Substituent Influence on Redox Properties of Sandwich Compounds
Wen-Bih Tzeng, Sergey Yu. Ketkov, Pei-Ying Wu, Gennady V. Markin, Sheng-Yuan Tzeng
High-resolution threshold ionization spectroscopy revealed close similarity in the Ph and Me effects on the (η6-Arene)2Cr gas-phase ionization energies. However, DFT calculations showed that the Ph substituent influence on the electron-density distribution differs strongly from that of the Me fragment. The positive shift of the solution-phase (η6-Arene)2Cr+/0 redox potential on phenylation appears to be a result of solvation effects but not intramolecular interactions. More information can be found in the Full Paper by S. Y. Ketkov, W.-B. Tzeng et al. (DOI: 10.1002/chem.201702226).

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201703242

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