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Matthew Wodrich

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Publications associées (86)

Linear Scaling Relationships and Volcano Plots in Homogeneous Catalysis – Revisiting the Suzuki Reaction

Anne-Clémence Corminboeuf, Matthew Wodrich, Michael Markus Busch

Linear free energy scaling relationships and volcano plots are common tools used to identify potential heterogeneous catalysts for myriad applications. Despite the striking simplicity and predictive power of volcano plots, they remain unknown in homogeneou ...

2015

Iron Pincer Complexes as Catalysts and Intermediates in Alkyl Aryl Kumada Coupling Reactions

Rosario Scopelliti, Matthew Wodrich, Xile Hu, Gerald Bauer

Iron-catalyzed alkylaryl Kumada coupling has developed into an efficient synthetic method, yet its mechanism remains vague. Here, we apply a bis(oxazolinylphenyl)amido pincer ligand (Bopa) to stabilize the catalytically active Fe center, resulting in isola ...

American Chemical Society2015

Ping-Pong Protons: How Hydrogen Bonding Networks Facilitate Heterolytic Bond Cleavages in Peptide Radical Cations

Yury Tsybin, Anne-Clémence Corminboeuf, Konstantin Zhurov, Matthew Wodrich

Electron capture and electron transfer dissociation (ECD/ETD) tandem mass spectrometry (MS/MS) are commonly employed techniques for biomolecular analysis. The ECD/ETD process predominately cleaves N-C-alpha peptide backbone bonds, leading to primary sequen ...

Amer Chemical Soc2014

On the Viability of Heterolytic Peptide N-Calpha Bond Cleavage in Electron Capture and Transfer Dissociation Mass Spectrometry

Yury Tsybin, Anne-Clémence Corminboeuf, Konstantin Zhurov, Matthew Wodrich

While frequently employed as an experimental technique, the mechanistic picture surrounding the gas-phase dissociation of peptides carrying multiple positive charges during electron capture and electron transfer dissociation tandem mass spectrometry remain ...

Amer Chemical Soc2014

Ligand-Controlled Regiodivergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands

Baihua Ye, Jérôme Florian Gonthier, Anne-Clémence Corminboeuf, Matthew Wodrich, Nicolai Cramer

Rh-III-catalyzed directed C-H functionalizations of arylhydroxamates have become a valuable synthetic tool. To date, the regioselectivity of the insertion of the unsaturated acceptor into the common cyclometalated intermediate was dependent solely on intri ...

Wiley-V C H Verlag Gmbh2014

Bimetallic Oxidative Addition in Nickel-Catalyzed Alkyl-Aryl Kumada Coupling Reactions

Matthew Wodrich, Xile Hu, Jan Breitenfeld

The mechanism of alkylaryl Kumada coupling catalyzed by the nickel pincer complex Nickamine was studied. Experiments using radical-probe substrates and DFT calculations established a bimetallic oxidative addition mechanism. Kinetic measurements showed that ...

American Chemical Society2014

Fast and Highly Chemoselective Alkynylation of Thiols with Hypervalent Iodine Reagents Enabled through a Low Energy Barrier Concerted Mechanism

Matthew Wodrich, Jérôme Waser, Reto Frei, Durga Prasada Rao Hari

Among all functional groups, alkynes occupy a privileged position in synthetic and medicinal chemistry, chemical biology, and materials science. Thioalkynes, in particular, are highly useful, as they combine the enhanced reactivity of the triple bond with ...

2014

Bimetallic Oxidative Addition Involving Radical Intermediates in Nickel-Catalyzed Alkyl-Alkyl Kumada Coupling Reactions

Jesus Ruiz, Matthew Wodrich, Xile Hu, Jan Breitenfeld

Many nickel-based catalysts have been reported for cross-coupling reactions of nonactivated alkyl halides. The mechanistic understanding of these reactions is still primitive. Here we report a mechanistic study of alkyl-alkyl Kumada coupling catalyzed by a ...

American Chemical Society2013

Electronic Elements Governing the Binding of Small Molecules to a [Fe]-hydrogenase Mimic

Matthew Wodrich, Xile Hu

[Fe]-hydrogenase, one of three types of hydrogenases, activates molecular hydrogen. Here, using DFT computations, we examine the electronic elements governing the binding of small ligands to a recently synthesized [Fe]-hydrogenase biomimic. Computed reacti ...

Wiley-Blackwell2013

Principles of electron capture and transfer dissociation mass spectrometry applied to peptide and protein structure analysis

Yury Tsybin, Konstantin Zhurov, Matthew Wodrich, Luca Fornelli, Unige Anna Laskay

This tutorial review describes the principles and practices of electron capture and transfer dissociation (ECD/ETD or ExD) mass spectrometry (MS) employed for peptide and protein structure analysis. ExD MS relies on interactions between gas phase peptide o ...

Royal Society of Chemistry2013

Quantification of "Fuzzy" Chemical Concepts: A Computational Perspective

Jérôme Florian Gonthier, Anne-Clémence Corminboeuf, Matthew Wodrich

Chemists recurrently utilize "fuzzy'' chemical concepts (e.g. atomic charges, the chemical bond, strain, aromaticity, branching, etc.), which lack unique quantitative assessments but, nonetheless, are frequently employed as tools for understanding the intr ...

Royal Society of Chemistry2012

Reply to “Comment on ‘Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme"

Jérôme Florian Gonthier, Anne-Clémence Corminboeuf, Matthew Wodrich

American Chemical Society2012

Heterolytic N-Calpha Bond Cleavage in Electron Capture and Transfer Dissociation of Peptide Cations

Hisham Ben Hamidane, Yury Tsybin, Anne-Clémence Corminboeuf, Konstantin Zhurov, Matthew Wodrich, Aleksey Vorobyev

Mass spectrometry techniques employing electron capture and electron transfer dissociation represent powerful approaches for the analysis of biological samples. Despite routine employment in analytical fields, the underlying physical processes dictating pe ...

Amer Chemical Soc2012

Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme

Anne-Clémence Corminboeuf, Matthew Wodrich

Detailed knowledge of hydrocarbon radical thermochemistry is critical for understanding diverse chemical phenomena, ranging from combustion processes to organic reaction mechanisms. Unfortunately, experimental thermochemical data for many radical species t ...

2012

Structure-Correlation Principles Connecting Ground State Properties and Reaction Barrier Heights for the Cope Rearrangement of Semibullvalenes

Anne-Clémence Corminboeuf, Matthew Wodrich, Daniel Filipe Dos Santos Alves Jana

A direct relationship exists between the properties of substituted semibullvalenes and their Cope rearrangement activation barrier. This unique correlation not only enables the determination of kinetic data from ground state information, but also provides ...

American Chemical Society2012

Sequential N–O and N–N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex

Kay Severin, Rosario Scopelliti, Euro Solari, Matthew Wodrich, Alexander Tskhovrebov

Chemically induced bond cleavage of nitrous oxide typically proceeds by rupture of the N–O bond with concomitant O-atom transfer and liberation of dinitrogen. On a few occasions, N–N bond scission has been observed instead. We report a reaction sequence in ...

2012

Covalent Capture of Nitrous Oxide by N-Heterocyclic Carbenes

Kay Severin, Rosario Scopelliti, Euro Solari, Matthew Wodrich, Alexander Tskhovrebov

A good catch: N-heterocyclic carbenes (NHCs) form stable adducts with nitrous oxide (N2O) under mild reaction conditions. The adducts display unique reactivity as evidenced by an alkylation reaction which leads to a rupture of the NN bond. ...

Wiley-Blackwell2012

Branched Alkanes Have Contrasting Stabilities

Jérôme Florian Gonthier, Anne-Clémence Corminboeuf, Matthew Wodrich

Bond separation reactions of highly branched alkanes are used to assess (de)stabilizing interactions associated with various 1,3-nonbonded substituent patterns. While n- and singly methylated alkanes show positive bond separation energies (BSEs), which inc ...

American Chemical Society2010

Overcoming systematic DFT errors for hydrocarbon reaction energies

Anne-Clémence Corminboeuf, Matthew Wodrich

Despite the widespread use and numerous successful applications of density functional theory, descriptions of hydrocarbon reaction energies remain problematic. Illustrative examples include large underestimation of energies associated with alkane bond sepa ...

Springer-Verlag2010

How Strained are Carbomeric-Cycloalkanes?

Jérôme Florian Gonthier, Anne-Clémence Corminboeuf, Matthew Wodrich

The ring strain energies of carbomeric-cycloalkanes (molecules with one or more acetylene spacer units placed into carbon single bonds) are assessed using a series of isodesmic, homodesmotic, and hyperhomodesmotic chemical equations. Isodesmic bond separat ...

American Chemical Society2010

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