Person

Dr. rer. nat.

Markus Hölscher

Gruppenleiter

Dr. Markus Hölscher
Lehrstuhl für Technische Chemie und Petrolchemie

Adresse

Gebäude: Sammelbau Chemie

Raum: 38B 410

Worringerweg 2

52074 Aachen

Kontakt

workPhone
Telefon: +49 241 80 26488
Fax: +49 241 80 22177
 

Publikationen

ResearcherID (Web of Science)

 

Computerchemie in der Homogenen Katalyse

Berechnungen von Strukturen und Moleküleigenschaften mit Dichtefunktionalmethoden. Besonderer Fokus auf metallorganischen Verbindungen, insbesondere Katalysatoren und Berechnung von Katalysezyklen.

  • Computer-Chemie
  • Aktivierung von reaktionsträgen Molekülen wie CO2, N2
  • C-H-Aktivierung
  • Wasserstoffübertragungsprozesse
  • Funktionalisierung von Alkenen und Alkinen

Wissenschaftliche Laufbahn

seit 2002

Gruppenleiter im Arbeitskreis von Prof. Dr. Walter Leitner (RWTH Aachen)

2000 - 2002

Gruppenleiter im Arbeitskreis von Prof. Dr. Hartwig Höcker (RWTH Aachen)

1996 - 2000

Freiberuflicher Editor

1995 - 1996

Editor für "Angewandte Chemie"

1995

Dissertation RWTH Aachen

1992

Diplom RWTH Aachen

 
Titel Autor(en)
[Fachzeitschriftenartikel]
Interaction of formaldehyde with a water-tolerant frustrated Lewis pair
In: Chemical communications : ChemComm, 53 (22), 3205-3208, 2017
[DOI: 10.1039/C6CC08044H]
Ghattas, Ghazi
Bizzarri, Claudia
Hölscher, Markus
Langanke, Jens
Gürtler, Christoph
Leitner, Walter
Subhani, Muhammad Afzal
[Fachzeitschriftenartikel]
On the applicability of density functional theory to manganese-based complexes with catalytic activity toward water oxidation
In: Journal of computational chemistry, 38 (20), 1747-1751, 2017
[DOI: 10.1002/jcc.24819]
Gámez, José A.
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Hydrogenation of CO 2 to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water
In: Angewandte Chemie / International edition, 55 (31), 8966-8969, 2016
[DOI: 10.1002/anie.201603878]
Rohmann, Kai
Kothe, Jens
Haenel, Matthias W.
Englert, Ullrich
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins
In: Journal of the American Chemical Society, 138 (1), 433-443, 2016
[DOI: 10.1021/jacs.5b11997]
Rohmann, Kai Christian
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
NH3 Synthesis in the N2/H2 Reaction System using Cooperative Molecular Tungsten/Rhodium Catalysis in Ionic Hydrogenation: A DFT Study
In: Chemistry - a European journal, 22 (8), 2624-2628, 2016
[DOI: 10.1002/chem.201504660]
Moha, Verena
Leitner, Walter
Hölscher, Markus
[Fachzeitschriftenartikel]
A DFT Study on the Co-polymerization of CO2 and Ethylene: Feasibility Analysis for the Direct Synthesis of Polyethylene Esters
In: ChemSusChem, 9 (13), 1614-1622, 2016
[DOI: 10.1002/cssc.201501615]
Moha, Verena
Cozzula, Daniela
Hölscher, Markus
Leitner, Walter
Müller, Thomas E.
[Fachzeitschriftenartikel]
Reduction of Metal Coordinated N 2 to NH 3 with H 2 by Heterolytic Hydrogen Cleavage induced by External Lewis Bases : a DFT Study
In: Zeitschrift für anorganische und allgemeine Chemie, 641 (1), 72-77, 2015
[DOI: 10.1002/zaac.201400337]
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Solvent-Free Hydrosilylation of Terminal Alkynes by Reaction with a Nonclassical Ruthenium Hydride Pincer Complex
In: European journal of inorganic chemistry, 2015 (2), 333-339, 2015
[DOI: 10.1002/ejic.201403016]
Conifer, Christopher
Gunanathan, Chidambaram
Rinesch, Torsten
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
A DFT study of ruthenium pincer carboxylate complexes as potential catalysts for the direct carboxylation of arenes with CO2 - meridional versus facial coordination
In: Dalton transactions, 43 (29), 11180-11189, 2014
[DOI: 10.1039/c4dt00294f]
Stoychev, S. D.
Conifer, C. M.
Uhe, A.
Hölscher, M.
Leitner, Walter
[Fachzeitschriftenartikel]
Highly Versatile Catalytic Hydrogenation of Carboxylic and Carbonic Acid Derivatives using a Ru-Triphos Complex: Molecular Control over Selectivity and Substrate Scope
In: Journal of the American Chemical Society : JACS, 136 (38), 13217-13225, 2014
[DOI: 10.1021/ja506023f]
vom Stein, Thorsten
Meuresch, Markus
Limper, Dominik
Schmitz, Marc
Hölscher, Markus
Coetzee, Jacorien
Cole-Hamilton, David J.
Klankermayer, Jürgen
Leitner, Walter
[Fachzeitschriftenartikel]
Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium–Triphos catalyst : from mechanistic investigations to multiphase catalysis
In: Chemical science, 6 (1), 693-704, 2014
[DOI: 10.1039/C4SC02087A]
Wesselbaum, Sebastian
Moha, Verena
Meuresch, Markus
Brosinski, Sandra
Thenert, Katharina M.
Kothe, Jens
vom Stein, Thorsten
Englert, Ullrich
Hölscher, Markus
Klankermayer, Jürgen
Leitner, Walter
[Fachzeitschriftenartikel]
Low Activation Barriers in N 2 Reduction with H 2 at Ruthenium Pincer Complexes Induced by Ligand Cooperativity : A Computational Study
In: European journal of inorganic chemistry, 2014 (35), 6126-6133, 2014
[DOI: 10.1002/ejic.201402706]
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity
In: Journal of the American Chemical Society : JACS, 135 (6), 2104-2107, 2013
[DOI: 10.1021/ja3119477]
Ostapowicz, Thomas Georg
Merkens, Carina Melanie
Hölscher, Markus
Klankermayer, Jürgen
Leitner, Walter
[Fachzeitschriftenartikel]
Analysis of Potential Molecular Catalysts for the Hydroamination of Ethylene with Ammonia: A DFT Study with [Ir(PCP)] and [Ir(PSiP)] Complexes
In: Chemistry : a European journal, 19 (3), 1020-1027, 2013
[DOI: 10.1002/chem.201202185]
Uhe, Andreas Michael
Hölscher, Markus
Leitner, Walter
[Buchbeitrag, Fachzeitschriftenartikel]
Rhodium catalyzed hydroamination of C2H4 with NH3 with pincer derived PE(CH2CH2X)P ligands - Fighting the energy span
In: Journal of organometallic chemistry, 748 Special, 13-20, 2013
[DOI: 10.1016/j.jorganchem.2013.03.004]
Hölscher, Markus
Uhe, Andreas Michael
Leitner, Walter
[Fachzeitschriftenartikel]
Structures and Dynamics of the Mixed Dihydrogen/Hydride Complexes [Ru(PCP)(H)(H2)n] (n = 1, 2) and [Ru(PNP)(H)2(H2)]
In: European journal of inorganic chemistry : EurJIC, 2013 (29), 5075-5080, 2013
[DOI: 10.1002/ejic.201301016]
Gunanathan, Chidambaram
Capelli, Silvia C.
Englert, Ullrich
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Carboxylation of Arene C-H Bonds with CO2: A DFT-Based Approach to Catalyst Design
In: Chemistry : a European journal, 18 (1), 170-177, 2012
[DOI: 10.1002/chem.201102785]
Uhe, Andreas Michael
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Ruthenium Catalyzed Hydroboration of Terminal Alkynes to Z-Vinylboronates
In: Journal of the American Chemical Society : JACS, 134 (35), 14349-14352, 2012
[DOI: 10.1021/ja307233p]
Gunanathan, Chidambaram
Hölscher, Markus
Pan, Fangfang
Leitner, Walter
[Fachzeitschriftenartikel]
Heterolytic Outer-Sphere Cleavage of H2 for the Reduction of N2 in the Coordination Sphere of Transition MetalsuA DFT Study
In: Angewandte Chemie / International edition, 51 (33), 8225-8229, 2012
[DOI: 10.1002/anie.201202025]
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Catalytic Hydrocarboxylation of Olefins with CO2 and H2-a DFT Computational Analysis
In: European journal of inorganic chemistry : EurJIC, 2012 (34), 5632-5641, 2012
[DOI: 10.1002/ejic.201200965]
Ostapowicz, Thomas Georg
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Carbon Dioxide as a Carbon Resource - Recent Trends and Perspectives
In: Zeitschrift für Naturforschung / Section B, a journal of chemical sciences, 67 (10), 961-975, 2012
[DOI: 10.5560/ZNB.2012-0219]
Hölscher, Markus
Gürtler, Christoph
Keim, Wilhelm
Müller, Thomas E.
Peters, Martina
Leitner, Walter
[Buchbeitrag]
Kraftstoffe aus Biomasse - Aktueller Stand und Herausforderungen einer alternativen Treibstoffversorgung
In: Praxis der Naturwissenschaften Chemie in der Schule, 2011
Leitner, Walter
Hölscher, Markus
[Fachzeitschriftenartikel]
CO2 Insertion into Metal-Carbon Bonds: A Computational Study of RHI Pincer Complexes
In: Chemistry : a European journal, 17 (37), 10329-10338, 2011
[DOI: 10.1002/chem.201101463]
Ostapowicz, Thomas Georg
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Selective Homogeneous Hydrogenation of Biogenic Carboxylic Acids with [Ru(TriPhos)H](+): A Mechanistic Study
In: Journal of the American Chemical Society : JACS, 133 (36), 14349-14358, 2011
[DOI: 10.1021/ja2034377]
Geilen, Frank Manfred Albert
Engendahl, Barthel
Hölscher, Markus
Klankermayer, Jürgen
Leitner, Walter
[Fachzeitschriftenartikel]
Reduction of Nitriles to Amines with H2 Catalyzed by Nonclassical Ruthenium Hydrides – Water-Promoted Selectivity for Primary Amines and Mechanistic Investigations
In: European journal of inorganic chemistry : EurJIC, 2011 (22), 3381-3386, 2011
[DOI: 10.1002/ejic.201100392]
Gunanathan, Chidambaram
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Lewis Acid Assisted Stabilization of Side-On Bonded N2 in [Ru(NCN)]-Pincer Complexes : Computational Catalyst Design Directed at NH3 Synthesis from N2 and H2
In: Chemistry : a European journal, 16 (48), 14266-14271, 2010
[DOI: 10.1002/chem.201002010]
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Selective hydrogenation of biomass derived substrates using ionic liquid-stabilized ruthenium nanoparticles
In: Green chemistry : GC, 12 (9), 1634-1639, 2010
[DOI: 10.1039/c004751a]
Julis, Jennifer
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
A Computational Study of Rhodium Pincer Complexes with Classical and Nonclassical Hydride Centres as Catalysts for the Hydroamination of Ethylene with Ammonia
In: Chemistry : a European journal, 16 (30), 9203-9214, 2010
[DOI: 10.1002/chem.201000669]
Uhe, Andreas Michael
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Quinaphos and Dihydro-Quinaphos Phosphine-Phosphoramidite Ligands for Asymmetric Hydrogenation
In: Chemistry : a European journal, 16 (25), 7517-7526, 2010
[DOI: 10.1002/chem.201000063]
Pullmann, Thomas
Engendahl, Barthel
Zhang, Ziyun
Hölscher, Markus
Zanotti-Gerosa, Antonio
Dyke, Alan
Franciò, Giancarlo
Leitner, Walter
[Fachzeitschriftenartikel]
1,1 -Binaphthyl-2,2 -diamine-Based Chiral Phosphorous Triamides : Synthesis and Application in Asymmetric Catalysis
In: European journal of organic chemistry : EurJOC, 2009 (35), 6198-6204, 2009
[DOI: 10.1002/ejoc.200900918]
Barta, Katalin
Eggenstein, Matthias
Hölscher, Markus
Franciò, Giancarlo
Leitner, Walter
[Fachzeitschriftenartikel]
Modular Synthesis of Novel Chiral Phosphorous Triamides Based on (S)-N-(Pyrrolidin-2-ylmethyl)aniline and Their Application in Asymmetric Catalysis
In: European journal of organic chemistry : EurJOC, 2009 (24), 4102-4116, 2009
[DOI: 10.1002/ejoc.200900477]
Barta, Katalin
Hölscher, Markus
Franciò, Giancarlo
Leitner, Walter
[Buch]
Regulated systems for multiphase catalysis, 2008
[DOI: 10.1007/978-3-540-71076-9]
Leitner, Walter
Hölscher, Markus
[Fachzeitschriftenartikel]
Ruthenium dihydrogen complex for C-H activation : catalytic H/D exchange under mild conditions
In: European journal of inorganic chemistry : EurJIC, 2008 (22), 3493-3500, 2008
[DOI: 10.1002/ejic.200800359]
Prechtl, Martin H. G.
Hölscher, Markus
Ben-David, Yehoshoa
Theyssen, Nils
Milstein, David
Leitner, Walter
[Fachzeitschriftenartikel]
Phosphoramidite Quinaphos-type ligands for highly selective Ni-catalyzed asymmetric C - C bond forming reactions
In: ChemInform, 38 (42), 2995-3002, 2007
[DOI: 10.1002/chin.200742024]
Diez-Holz, Christiane J.
Böing, Christian
Franciò, Giancarlo
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
H/D Exchange at Aromatic and Heteroaromatic Hydrocarbons Using D2O as the Deuterium Source and Ruthenium Dihydrogen Complexes as the Catalyst
In: Angewandte Chemie, 119 (13), 2319-2322, 2007
[DOI: 10.1002/ange.200603677]
Prechtl, Martin H. G.
Hölscher, Markus
Ben-David, Yehoshoa
Theyssen, Nils
Loschen, Rebekka
Milstein, David
Leitner, Walter
[Fachzeitschriftenartikel]
Can [M(H)2(H2)(PXP)] pincer complexes (M=Fe, Ru, Os; X=N, O, S) serve as catalyst lead structures for NH3 synthesis from N2 and H2?
In: Chemistry : a European journal, 13, 6636-6643, 2007
[DOI: 10.1002/chem.200700289]
Hölscher, Markus
Prechtl, Martin H. G.
Leitner, Walter
[Fachzeitschriftenartikel]
H/D Exchange at Aromatic and Heteroaromatic Hydrocarbons Using D2O as the Deuterium Source and Ruthenium Dihydrogen Complexes as the Catalyst
In: Angewandte Chemie / International edition, 46 (13), 2269-2272, 2007
[DOI: 10.1002/anie.200603677]
Prechtl, Martin H. G.
Hölscher, Markus
Ben-David, Yehoshoa
Theyssen, Nils
Loschen, Rebekka
Milstein, David
Leitner, Walter
[Fachzeitschriftenartikel]
Phosphoramidite quinaphos-type ligands for highly selective Ni-catalysed asymmetric C-C bond forming reactions
In: European journal of organic chemistry : EurJOC, 2007 (18), 2995-3002, 2007
[DOI: 10.1002/ejoc.200700249]
Diez-Holz, Christiane J.
Böing, Christian
Franciò, Giancarlo
Hölscher, Markus
Leitner, Walter
[Beitrag zu einem Tagungsband, Fachzeitschriftenartikel]
Theoretical studies of ethylene addition to transition metal compounds with carbene and oxo groups LnM(= CH2)(= O)
In: Journal of physical organic chemistry, 20 (1), 11-18, 2007
[DOI: 10.1002/poc.1095]
Haunschild, Robin
Loschen, Christoph
Tuellmann, Sandor
Cappel, Daniel
Hölscher, Markus
Holthausen, Max C.
Frenking, Gernot
[Fachzeitschriftenartikel]
DFT Investigation of the Potential of [H-M{(NHCH2CH2)3X}] Catalysts (M = Mo, Ru, Os; X = N, P) for the Reduction of N2 to NH3 by H2
In: European journal of inorganic chemistry : EurJIC, 2006 (21), 4407-4417, 2006
[DOI: 10.1002/ejic.200600548]
Hölscher, Markus
Leitner, Walter
[Fachzeitschriftenartikel]
Poly(ethylene oxide-co-tetrahydrofuran) and poly(propylene oxide-co-tetrahydrofuran): Synthesis and thermal degradation
In: Revue roumaine de chimie = Romanian journal of chemistry, 51 (7/8), 781-793, 2006
Hövetborn, Thomas
Hölscher, Markus
Keul, Helmut
Höcker, Hartwig
[Fachzeitschriftenartikel]
Chemo- and periselectivity in the addition of [OsO2(CH2)2] to ethylene: a theoretical study
In: Chemistry : a European journal, 11 (16), 4700-4708, 2005
[DOI: 10.1002/chem.200500217]
Hölscher, Markus
Leitner, Walter
Holthausen, Max C.
Frenking, Gernot
[Fachzeitschriftenartikel]
Origin of enantioselectivity in asymmetric hydrovinylations catalyzed by phosphoramidite nickel catalysts : an experimentally supported density functional study
In: Organometallics, 23 (23), 5606-5617, 2004
[DOI: 10.1021/om040107l]
Hölscher, Markus
Franciò, Giancarlo
Leitner, Walter
[Buchbeitrag, Fachzeitschriftenartikel]
Room temperature activation of aromatic C-H bonds by non-classical ruthenium hydride complexes containing carbene ligands
In: Advanced synthesis & catalysis, 2003, 1139-1145, 2003
[DOI: 10.1002/adsc.200303091]
Leitner, Walter
Giunta, Daniela
Hölscher, Markus
Lehmann, Christian W.
Mynott, Richard
Wirtz, Cornelia
[Beitrag zu einem Tagungsband, Fachzeitschriftenartikel]
Alternating poly(ester amide)s from succinic anhydride and alpha,omega-amino alcohols: synthesis and thermal characterization
In: Polymer international, 52 (10), 1625-1632, 2003
[DOI: 10.1002/pi.1354]
Fey, Thomas
Hölscher, Markus
Keul, Helmut
Höcker, Hartwig