3 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

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.