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

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About joaquinbarroso

Theoretical chemist in his early thirties, in love with life and deeply in love with his woman. I love science, baseball, literature, movies (perhaps even in that order). I'm passionate about food and lately wines have become a major hobby. In a nutshell I'm filled with regrets but also with hope, and that is called "living".

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

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