Inorganic Chemistry
Inorganic Chemistry
5 years ago

DFT Study on C–F Bond Activation by Group 14 Dialkylamino Metalylenes: A Competition between Oxidative Additions versus Substitution Reactions

DFT Study on C–F Bond Activation by Group 14 Dialkylamino Metalylenes: A Competition between Oxidative Additions versus Substitution Reactions
Debasis Koley, Totan Mondal, Sriman De
A systematic computational study has been performed to investigate the central atom and ligand dependent regioselective C−F bond activation of pentafluoropyridine by group 14 dialkylamino metalylenes. The preferable oxidative addition reaction over metathesis/substitution of substituted silylenes can be explained on the basis of electron concentration and the HOMO−LUMO gap between the reacting substrates. However, the dramatic switch between oxidative addition and metathesis in substituted germylenes and stannylenes depends on both the electronic and steric nature of the substituents.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01615

DOI: 10.1021/acs.inorgchem.7b01615

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.