Person

Dr. rer. nat.

Markus Hölscher

Group Leader

Dr. Markus Hölscher
Lehrstuhl für Technische Chemie und Petrolchemie

Address

Building: Sammelbau Chemie

Room: 38B 410

Worringerweg 2

52074 Aachen

Contact

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

Publications

ResearcherID (Web of Science)

 

Computational Chemistry in Homogeneous Catalysis

Calculation of structures and molecular properties with densitiy functional calculations. Focus on organometallic compounds, especially catalysts and calculation of catalytic cycles.

  • Computational Chemistry
  • Activation of inert molecules like CO2, N2
  • C-H activation
  • Hydrogen transfer processes
  • Functionalization of alkenes and alkynes

Scientific Career

since 2002

Group leader with Prof. Dr. Walter Leitner

2000 - 2002

Group leader with Prof. Dr. Hartwig Höcker

1996 - 2000

Free lance editor

1995 - 1996

Editor for "Angewandte Chemie"

1995

Ph. D. Thesis RWTH Aachen

1992

Diploma Thesis RWTH Aachen

 
Title Author(s)
[Journal Article]
Interaction of formaldehyde with a water-tolerant frustrated Lewis pair
In: Chemical communications, 53 (22), 3205 - 3208, 2017
[DOI: 10.1039/C6CC08044H]
Ghattas, Ghazi
Bizzarri, Claudia
Hölscher, Markus
Langanke, Jens
Gürtler, Christoph
Leitner, Walter
Subhani, Muhammad Afzal
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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.
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Contribution to a book]
Kraftstoffe aus Biomasse - Aktueller Stand und Herausforderungen einer alternativen Treibstoffversorgung
In: Praxis der Naturwissenschaften Chemie in der Schule, 2011
Leitner, Walter
Hölscher, Markus
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Book]
Regulated systems for multiphase catalysis, 2008
[DOI: 10.1007/978-3-540-71076-9]
Leitner, Walter
Hölscher, Markus
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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
[Journal Article]
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