Dr Günter Klatt
Research interests
- Investigation of catalytic reaction cycles using quantum chemistry
- Wave packet dynamics, DFT, reaction rate calculations
Research project
Basic Reactions and Mechanisms in Molecular Catalysis
Subproject A4: Quantum Dynamics of Elementary Processes in Homogeneous Catalysis: Olefin Insertion and Reactions involving a Change in Spin Multiplicity
Doctoral thesis
Klatt, G. (1997): Theoretical Study of Molecular Infra-Red Spectra. Chemistry Department, Cambridge University.
Courses
2001 – 2004: Advanced lecture “Molecular Modelling for Chemical Engineers”, Taught Master's Course in Chemical Engineering, University of Cape Town.Selected Publications
Mark, S.; Kurek, A.; Muelhaupt, R.; Xu, R.; Klatt, G.; Koeppel, H.; Enders, M. (2010): Hydridoboranes as Modifiers for Single-Site Organochromium Catalysts: from Low- to Ultrahigh-Molecular-Weight Polyethylene. In: Angewandte Chemie, International Edition (2010), 49(46), 8751-8754.
Xu, R.; Klatt, G.; Wadepohl, H.; Koeppel, H. (2010): Hydrogen Scrambling in [(C5R5)(L)M(H)(C2H4)]+ (M = Co, Rh). Relation of Experimental Kinetic Data to the Barriers of the Elementary Reaction Steps. In: Inorganic Chemistry (Washington, DC, United States) (2010), 49(7), 3289-3296.
Werz, D.B.; Klatt, G.; Raskatov, J.A.; Koppel, H.; Gleiter, R. (2009): CpCo-Mediated Reactions of Cyclopropenones: A DFT Study. In: Organometallics (2009), 28(6), 1675-1682.
Xu, R.; Bittner, M.; Klatt, G.; Koeppel, H. (2008): Influence of Ligands on the Dynamics of Hydrogen Elimination in Cationic Complexes of Co and Rh. In: Journal of Physical Chemistry A (2008), 112(50), 13139-13148.
Selected Presentations
„ Catalysis with Chromium “, Workshop on Progress in Theoretical Chemistry, Neckarzimmern, October 13th 2010.
„ Catalytic Olefin Polymerisation: Influence of Transition Metal and Scrambling Processes “, Theoretical Chemistry Group Seminar, November 30th 2009.
„ Quantum-dynamical Studies of the β -H Transfer in Cationic Complexes of Co and Rh“, Workshop of the Sonderforschungsbereich 623, April 11th 2008.
Selected Posters
„ Computational Studies of Chromium-catalysed Ethylene Polymerisation: Chain Growth and Chain Termination “; (Joint Workshop „ Catalysis: Advances and Perspectives “ , Sept. 3rd – 4th 2010)
„ H/C Scrambling in [(C5R5)(L)M(H)(C2H4)]+ (M = Co, Rh). Relation of Experimental Kinetic Data to the Barriers of the Elementary Reaction Steps “; (Heidelberg Forum of Molecular Catalysis, Nov. 6th 2009)
„ Influence of Ligands on the Dynamics of Hydrogen Elimination in Cationic Complexes of Co and Rh “; (45th Symposium on Theoretical Chemistry,
Neuss am Rhein, Sept. 8th –22nd 2009)
