MolMod ’09

I’ve decided what will my topic be this edition of Molmod! Some years ago, back at UNAM, we published a paper entitled: “Phosphane Free Heck couplings catalyzed by Pd(II) Fluorinated Aniline Complexes of the type trans-[PdCl2(NH2ArF)2]” In this paper we calculated the electronic structure and bonding properties of the fluorinated ligands as a mean to assess the trends observed in the catalytic activities of the different Pd(II) complexes. The reference is a bit old, I know, but my most recent work has already been presented in this forum, and my current research is only a couple of months old so I don’t have too much data as to conclude anything on the current hypothesis.

The full reference is listed below and it may be accessed through any specialized web journal service (upon subscription) or by direct request to the author 🙂

Journal of Molecular Catalysis A: Chemical 247 (2006) 65–72
Oscar Baldovino-Pantaleon, Joaquın Barroso-Flores, J.A. Cogordan, Simon Hernandez-Ortega, Ruben A. Toscano, David Morales-Morales

About joaquinbarroso

Computational and theoretical chemist in his early forties, in love with life, science, baseball, and literature. Science literacy makes us responsible citizens, it is therefore a scientific duty to talk, write, and engage with the general public; as Feynman said, if you find science boring, your learning from the wrong teacher. "Make like a molecule and react!"

Posted on March 12, 2009, in Computational Chemistry, Science, Talks and tagged , , , , , . Bookmark the permalink. Leave a comment.

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