CCL@IISc

@JindalLab

We are the Computational Chemistry Lab (CCL) at IISc Bengaluru, Department of Organic Chemistry. Student run Twitter profile.

Bangalore compchemlab2019.wixsite.com/mysite Joined November 2021

155 Following 429 Followers 86 Posts

Latest posts 5

CCL@IISc @JindalLab Aug 29

We unravel how dirhodium catalysts build chiral sulfur centers, revealing an unexpected mechanistic blueprint through kinetics, spectroscopy, and computation. Congratulations, @MaheshHarariya and @Narmatha57 on your new paper! pubs.acs.org/inocaj/article…

pubs.acs.org How Dirhodium Catalysts Build Chiral Sulfur Centers: An Unexpected Mechanistic Blueprint from... Abstract. Chiral compounds comprising a stereogenic sulfur center are an important class of molecules. Recently, sulfenamides were alkylated using diazo co

CCL@IISc @JindalLab Aug 13

Congratulations to Mahesh @MaheshHarariya on successfully defending his PhD thesis! We sincerely thank Prof. R. B. Sunoj @sunojchemlab for graciously conducting the in-person thesis viva at @iiscbangalore, & Prof. Dean Tantillo @TantilloLab for his thorough review of the thesis.

CCL@IISc @JindalLab Jul 29

We decode why a Pd-catalyzed multicomponent reaction selectively forms one product over eight possible outcomes through computational methods. Congratulations, @kritigu17669152 on your ACS Editors' Choice paper in @InorgChem @ACSPublications pubs.acs.org/doi/full/10.10…

pubs.acs.org Decoding the Selective Formation of One over Eight Possible Products in a Pd-Catalyzed Multicompo... Abstract. We present a comprehensive mechanistic investigation of a Pd-catalyzed multicomponent reaction (MCR) involving diazoesters, allylic esters, and a

CCL@IISc @JindalLab Jun 22

Out now in @InorgChem!
We reveal a previously unexplored triplet-state pathway in dirhodium tetracarboxylates facilitating phosphine ligand isomerization & orthometalation under mild conditions. Congrats @MaheshHarariya @Narmatha57 and @BibhasBorah
doi.org/10.1021/acs.in…

pubs.acs.org Unraveling the Triplet-State-Enabled Phosphine Ligand Isomerization and Orthometalation in Dirhod... Abstract. Dirhodium(II,II) paddlewheel complexes are central to modern catalysis, yet their rigid bimetallic core restricts ligand coordination to axial si

CCL@IISc @JindalLab May 6

Congratulations to Ritwika @chatt_ritwika on successfully defending her PhD thesis! We sincerely thank Prof. Ankan Paul for graciously conducting the viva voce examination, and Prof. Dean Tantillo @TantilloLab for his thorough and meticulous review of the thesis.