Structure-activity relationships in Pd catalysed C-S activation of thioesters
RSC Advances, ISSN: 2046-2069, Vol: 6, Issue: 66, Page: 61996-62004
2016
- 6Citations
- 4Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Article Description
Transition metal catalyzed C-S activation has recently become a powerful strategy in organic synthesis, and has shown great potential in petroleum chemistry and protein synthesis. Nonetheless, the inherent structure-activity relationships have been less-well understood, limiting the future development and applications of such protocols. In this study, we carried out a systematic investigation on Pd(0) catalysed C-S activation using density functional theory (DFT) methods. The C-S bond activation of 34 structurally independent thioesters (RCOSR) was studied. The correlations between the activation barrier, C-S bond dissociation enthalpy (BDE), the reaction energy and structural parameters of the involving intermediates and transition states were systematically examined.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84976878503&origin=inward; http://dx.doi.org/10.1039/c6ra12607c; https://xlink.rsc.org/?DOI=C6RA12607C; http://xlink.rsc.org/?DOI=C6RA12607C; http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA12607C; https://dx.doi.org/10.1039/c6ra12607c; https://pubs.rsc.org/en/content/articlelanding/2016/ra/c6ra12607c
Royal Society of Chemistry (RSC)
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