Emilio E. Bunel

ORCID: 0000-0002-1657-7854
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Research Areas
  • Catalytic Cross-Coupling Reactions
  • Organometallic Complex Synthesis and Catalysis
  • Catalytic C–H Functionalization Methods
  • Synthesis and characterization of novel inorganic/organometallic compounds
  • Synthetic Organic Chemistry Methods
  • Catalytic Alkyne Reactions
  • Oxidative Organic Chemistry Reactions
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Ferrocene Chemistry and Applications
  • Asymmetric Hydrogenation and Catalysis
  • Chemical Synthesis and Reactions
  • Radical Photochemical Reactions
  • Inorganic and Organometallic Chemistry
  • Organoboron and organosilicon chemistry
  • Catalysis for Biomass Conversion
  • Metal-Organic Frameworks: Synthesis and Applications
  • Metal-Catalyzed Oxygenation Mechanisms
  • Chemical Synthesis and Analysis
  • Coordination Chemistry and Organometallics
  • Sulfur-Based Synthesis Techniques
  • Asymmetric Synthesis and Catalysis
  • Catalysis and Hydrodesulfurization Studies
  • Covalent Organic Framework Applications
  • CO2 Reduction Techniques and Catalysts

Argonne National Laboratory
2012-2025

Pontificia Universidad Católica de Chile
2025

Wuhan University
2016

Amgen (United States)
2005-2008

DuPont (United States)
1995-2000

Experimental Station
1995-2000

California Institute of Technology
1987-1991

La Salle University
1988-1989

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTScandium complex [{(.eta.5-C5Me4)Me2Si(.eta.1-NCMe3)}(PMe3)ScH]2: a unique example of single-component .alpha.-olefin polymerization catalystPamela J. Shapiro, Emilio Bunel, William P. Schaefer, and John E. BercawCite this: Organometallics 1990, 9, 3, 867–869Publication Date (Print):March 1, 1990Publication History Published online1 May 2002Published inissue 1 March...

10.1021/om00117a055 article EN Organometallics 1990-03-01

The evolution of organoscandium chemisty in our research group over the past ten years is described. synthesis well-defined, mononuclear compounds challenging due to propensity highly Lewis acidic scandium center induce oligomerization with formation {Sc-(μ-R)-Sc} bridges. By using two bulky pentamethylcyclopentadienyl (Cp*) ligands, thermally stable, monomeric hydride and hydrocarbyl derivatives type Cp*2Sc-R (R = H, alkyl, aryl, alkyl) have been obtained. Due primarily their extreme...

10.1055/s-1990-20992 article EN Synlett 1990-01-01

[reaction: see text] New air-stable PdCl(2){P(t)Bu(2)(p-R-Ph)}(2) (R = H, NMe(2), CF(3),) complexes represent simple, general, and efficient catalysts for the Suzuki-Miyaura cross-coupling reactions of aryl halides including five-membered heteroaryl heteroatom-substituted six-membered chlorides with a diverse range arylboronic acids. High product yields (89-99% isolated yields) turn-over-numbers (10,000 TON) are observed.

10.1021/ol060268g article EN Organic Letters 2006-04-01

We systematically investigated the role of surface modification nanoparticles catalyst in alkyne hydrogenation reactions and proposed general explanation effect ligands on selectivity activity Pt Co/Pt (NPs) using experimental computational approaches. show that proper balance between adsorption energetics alkenes at NPs as compared to capping defines nanocatalyst for alkene reaction. report addition primary alkylamines CoPt3 can drastically increase from 0 more than 90% with ∼99.9%...

10.1021/nl3027636 article EN Nano Letters 2012-09-18

X-ray absorption spectroscopy and in situ electron paramagnetic resonance evidence were provided for the reduction of Cu(II) to Cu(I) species by alkynes presence tetramethylethylenediamine (TMEDA), which TMEDA plays dual roles as both ligand base. The structures starting obtained determined (TMEDA)CuCl2 [(TMEDA)CuCl]2 dimer, respectively.

10.1021/ja410756b article EN Journal of the American Chemical Society 2014-01-06

An efficient alkyne C-H activation and homocoupling procedure has been studied which indicates that a Cu(II)/Cu(I) synergistic cooperation might be involved. In situ Raman spectroscopy was employed to study kinetic behavior, drawing the conclusion Cu(I) rather than Cu(II) participates in rate-determining step. IR, EPR, X-ray absorption evidence were provided for structural information, indicating stronger interaction with Kinetics showed plays role as oxidant C-C bond construction step, fast...

10.1021/ja5097489 article EN Journal of the American Chemical Society 2014-11-10

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructural and Physical Properties of Delocalized Mixed-Valent [Cp*M(pentalene)M'Cp*]n+ [Cp*M(indacene)M'Cp*]n+ (M, M' = Fe, Co, Ni; n 0, 1, 2) ComplexesJuan M. Manriquez, Michael D. Ward, William Reiff, Joseph C. Calabrese, Nancy L. Jones, Patrick J. Carroll, Emilio E. Bunel, Joel S. MillerCite this: Am. Chem. Soc. 1995, 117, 23, 6182–6193Publication Date (Print):June 1995Publication History Published online1 May 2002Published inissue 1 June...

10.1021/ja00128a004 article EN Journal of the American Chemical Society 1995-06-01

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCarbon-carbon bond activation via .beta.-alkyl elimination. Reversible branching of 1,4-pentadienes catalyzed by scandocene hydride derivativesEmilio. Bunel, Barbara J. Burger, and John E. BercawCite this: Am. Chem. Soc. 1988, 110, 3, 976–978Publication Date (Print):February 1988Publication History Published online1 May 2002Published inissue 3 February...

10.1021/ja00211a053 article EN Journal of the American Chemical Society 1988-02-03

The new air-stable PdCl2{PR2(Ph-R')}2 complexes, readily prepared from commercial reagents, exhibit unique efficiency as catalysts for the Suzuki−Miyaura coupling reactions of a variety heteroatom-substituted heteroaryl chlorides with diverse range aryl/heteroaryl boronic acids. catalyzed by complexes high product yields (88−99%) and catalyst turnover numbers (up to 10 000 TON).

10.1021/jo070341w article EN The Journal of Organic Chemistry 2007-06-06

Carbenes with a twist: A seven-membered N-heterocyclic carbene (NHC) ligand is prepared from an amidinium precursor, derived 2,2′-dinitrobiphenyl, and yields the NHC–PdII complex [PdCl(allyl)(NHC)] (see scheme). This framework exhibits tortional twist that results in axial symmetry. class can be readily modified attractive for future application asymmetric catalysis. Supporting information this article available on WWW under http://www.wiley-vch.de/contents/jc_2002/2005/z501522_s.pdf or...

10.1002/anie.200501522 article EN Angewandte Chemie International Edition 2005-07-20

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPentamethylcyclopentadienyl acetylacetonate complexes of iron(II), cobalt(II), and nickel(II). Convenient synthetic entries to mono-.eta.5-C5Me5 derivativesEmilio E. Bunel, Luis. Valle, Juan M. ManriquezCite this: Organometallics 1985, 4, 9, 1680–1682Publication Date (Print):September 1, 1985Publication History Published online1 May 2002Published inissue 1 September 1985https://doi.org/10.1021/om00128a034RIGHTS & PERMISSIONSArticle...

10.1021/om00128a034 article EN Organometallics 1985-09-01

A mild, general, catalytic system for the alpha-vinylation of carbonyl compounds has been developed. By employing [Pd(P(t)Bu(3))Br](2) as catalyst and LHMDS base, vinyl bromides, triflates, tosylates couple with 3-methyloxindole in satisfactory yields. The same is extended to ketones esters.

10.1021/ol7019839 article EN Organic Letters 2007-09-22

A novel oxidative C-H/C-H cross-coupling reaction between electron-rich arenes and alkenes is established utilizing FeCl3 as the catalyst DDQ oxidant. Interestingly, direct arylation products are obtained with diaryl-ethylenes double styrene derivatives, which show high chemoselectivity good substrate scope. radical trapping experiment EPR (electron paramagnetic resonance) experiments indicate that this proceeds through a pathway in plays key role aryl formation. XAFS (X-ray absorption fine...

10.1021/acs.orglett.5b00775 article EN Organic Letters 2015-04-10

Five different first-row transition metal precursors (V(III), Cr(III), Mn(II), Co(II), Ni(II)) were successfully incorporated into a catechol porous organic polymer (POP) and characterized using ATR-IR XAS analysis. The resulting metallated POPs then evaluated for catalytic alkyne hydrogenation high-throughput screening techniques. All unexpectedly found to be active selective catalysts semihydrogenation. Three of the (V, Cr, Mn) are first their kind single-site catalysts. These results...

10.1002/anie.201405080 article EN Angewandte Chemie International Edition 2014-09-12

A stable and structurally well-defined titanium alkoxide catalyst supported on a metal–organic-framework (MOF) of UiO-67 topology (ANL1-Ti(OiPr)2) was synthesized fully characterized by variety analytical spectroscopic techniques, including BET, TGA, PXRD, XAS, DRIFT, SEM, DFT computations. The Ti-functionalized MOF demonstrated active for the catalytic hydroboration wide range aldehydes ketones with HBpin as boron source. Compared to traditional homogeneous catalysts, ANL1-Ti(OiPr)2 is...

10.1021/acs.organomet.7b00544 article EN Organometallics 2017-10-12

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBis[(pentamethylcyclopentadienyl)metal]pentalenes. A new class of highly delocalized, fused metallocenesEmilio E. Bunel, Luis. Valle, Nancy L. Jones, Patrick J. Carroll, Cecilia. Barra, Myriam. Gonzalez, Nancy. Munoz, Giovanni. Visconti, Arie. Aizman, and Juan M. ManriquezCite this: Am. Chem. Soc. 1988, 110, 19, 6596–6598Publication Date (Print):September 1, 1988Publication History Published online1 May 2002Published inissue 1 September...

10.1021/ja00227a068 article EN Journal of the American Chemical Society 1988-09-01

A variety of 4-oxobutenamides 1 were subjected to rhodium-catalyzed conjugate addition with arylboronic acids providing high regio- and enantioselectivity (97:3 >99:1, >96% ee) moderate excellent yields (54-99%). The key selectivity is the use sterically demanding P-chiral diphosphines, such as Tangphos or Duanphos. product oxobutanamides 2 may be converted alternate targets by selective derivatization either amide ketone functional group. stereochemical model predicting absolute sense...

10.1021/jo701682c article EN The Journal of Organic Chemistry 2007-10-10

A mechanistic study on the zinc-promoted coupling between aldehydes and terminal alkynes was demonstrated. bimetallic zinc complex determined to be active species.

10.1039/c4cc08152h article EN Chemical Communications 2014-11-03

Abstract The Cu I /Cu II and III catalytic cycles have been subject to intense debate in the field of copper‐catalyzed oxidative coupling reactions. A mechanistic study on redox process, by X‐ray absorption (XAS) electron paramagnetic resonance (EPR) spectroscopies, has elucidated reduction mechanism 1,3‐diketone detailed investigation revealed that halide ion is important for process. nature thereby‐formed also studied XAS EPR spectroscopy. This information applicable cyclization...

10.1002/chem.201503822 article EN publisher-specific-oa Chemistry - A European Journal 2015-10-30

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSyntheses of p-phenylene- and p-biphenylylene-bridged methylated binuclear ferrocenesEmilio E. Bunel, Pedro. Campos, Jose. Ruz, Luis. Valle, Isabel. Chadwick, Maria. Santa Ana, Guillermo. Gonzalez, Juan M. ManriquezCite this: Organometallics 1988, 7, 2, 474–476Publication Date (Print):February 1, 1988Publication History Published online1 May 2002Published inissue 1 February...

10.1021/om00092a037 article EN Organometallics 1988-02-01

Application of CO2 as a renewable feedstock and C1 building block for production commodity fine chemicals is highly challenging but obvious industry-relevant task. Of particular interest the catalytic coupling with inexpensive unsaturated hydrocarbons (olefins, dienes, styrenes, alkynes), providing direct access to carboxylic acids their derivatives. Although not brand new scientific community, it still complete challenge, no truly effective system has been reported date. In this...

10.1039/c5dt02350e article EN Dalton Transactions 2015-01-01

The adsorption of transition metal oleates on Pt nanoparticle surfaces creates a negative charge, promoting selective hydrogenation CO bonds over CC in nonpolar solvents, ensuring reactant solubility and improving catalytic efficiency.

10.1039/d4nr04084h article EN Nanoscale 2025-01-01
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