Research Motivation: Despite advances in high-throughput screening methods leading to a surge in the discovery of catalytic reactions, our knowledge of the molecular-level interactions in the rate- and selectivity-determining steps of catalytic reactions involving highly unstable and reactive open-shell intermediates is rudimentary. These knowledge gaps prevent control, suppression or enhancement, of competing reaction channels that can drive the development of new catalytic reactions.
Research Approach: The Gutierrez group combines computational and experimental approaches to advance our understanding of organic/organometallic reaction mechanisms. In turn, this information is used to guide the design of new sustainable, catalytic, and asymmetric transformations that can be adapted by the organic, organometallic, and bio(in)organic in the synthesis of medicinally-active compounds.
For C&EN profile on our research, see: C&EN Whitepaper
Understanding the role of open-shell intermediates in small-molecule catalysis
Development of predictive models of reactivity and selectivity in transition-metal catalysis
Rational design of Ni/photoredox-catalyzed radical cross-coupling reactions
Expand the scope of Fe-catalyzed multicomponent radical cascades/cross couplings
Development of base metal-catalyzed (e.g., Fe, Ni, Co) asymmetric cross-couplings
3.09.2023.Publications and updates. Check out our latest publications in experimental efforts in iron catalysis and collaborative computational/experimental efforts! For a recent highlight, see:
J. Am. Chem. Soc. 2023, 145, 17-24.
“Direct Deaminative Functionalization”
Highlighted in IN THE PIPELINE by Derek Lowe: LINK
12.13.2021.Publication. Congrats to Robert Martin for the publication in Nature Chemistry on Ni-catalyzed three component dicarbofunctionalization of unactivated alkenes in collaboration with Prof. Koh from National University of Singapore. What a great way to finish the 2021!
11.9.2021.Publication. Congrats to Dr. Madeline (who is now moving to Upenn as postdoc), Dr. Dinabandhu Sar, and Dr. Lei for the publication in Chemical Communications on Fe-catalyzed three component radical dicarbofunctionalization of electron-rich alkenes.
This work was also part of the special issue on 2021 Emerging Investigators.
10.22.2021.Publication. Congrats to Dr. Lei Liu, Dr. Wes Lee (now at the NIH), Cassy for the publication in Science on Fe-catalyzed three component radical cascades/cross-couplings! More exciting results on this chemistry!
In addition, check out the cool and extremely informative spectroscopic experiments by Prof. Neidig (University of Rochester) and graduate student Camila that shed light into the ligand effect!
This work was also highlighted in Science! LINK
This work was featured in Texas A&M Science by Shana K. Hutchins "Texas A&M Chemist Helps Pave Way for Cheaper, Faster, Safer Chemical Synthesis Using Iron as Catalyst" LINK
This work was highlighted by the University of Rochester "A big leap forward in using iron catalysts for pharmaceuticals" LINK
10.12.2021.Publication. Congrats to Mingbin for collaborative publication with Prof. Levin (University of Chicago) in “Direct Deamination of Primary Amines via Isodiazene Intermediates” published in JACS! This work describes a new and practical method for direct deletion of amines! More on the full mechanistic details on on this type of chemistry!
9.22.2021.Publication. Congrats to Mingbin for publication of "Mechanisms, challenges, and opportunities of dual Ni/photoredox-catalyzed C(sp2)–C(sp3) cross-couplings" in WIREs Computational Molecular Science! This is work summarizes one our of main areas of chemistry in which we work in parallel with experimental chemists to understand chemical reactivity and selectivity in metallophoredox radical cross-couplings. Keep an eye for more exciting results in this area soon!
8.6.2021.Conference. Congrats to Dr. Osvaldo Gutierrez (Texas A&M University), Dr. Jesus Armando Lujan Montelongo (CINVESTAV-Mexico City) Dr. Liliana Quintanar Vera (CINVESTAV-Mexico City), Dr. Jose Oscar Carlos Jimenez Halla (Universidad de Guanajuato), Raquel Gonzalez (Elizabeth Seton High School) for a very successful Breaking Barriers Through Chemistry Conference! Look forward to another exciting conference next year in Mexico! If you are interested in participating, DM via Twitter (@gutierrez_lab)
7.29.2021.Publication. Congrats to Robert and the Koh Team (National University of Singapore) for publication of "'Olefin functionalization/isomerization enables stereoselective alkene synthesis" in Nature Catalysis! This is the 2nd collaborative publication with MJ Koh (and more to come)!
6.10.2021.Publication. Congrats to Madeline and the Lee Team (LSU) for publication of "Impact of Ligands and Metals on the Formation of Metallacyclic Intermediates and a Non-traditional Mechanism for Group VI Alkyne Metathesis Catalysts" in JACS! It was a very long (but fun) journey with Dr. Rick Thompson (now a postdoc at the Powers Lab in TAMU) and Madeline working day-in and day-out to get this paper (rapidly) to the finish line!