René Wugt Larsen
Associate Professor
Department of Chemistry
Kemi: Faculty, Physical Chemnistry_group: IR- and THz Spectroscopy
Kemitorvet
Building 206 Room 066
2800 Kgs. Lyngby
dk
The major activities of the research group are concerned with novel fundamental experimental investigations of weakly bound cluster molecules by interferometric and broadband THz laser cluster spectroscopy approaches, which are complemented by first principles quantum chemical modeling. An ultimate challenge for the physical sciences is to describe accurately how the properties of macroscopic phenomena known from both the energy, materials and life sciences emerge from the interplay between different classes of non-covalent forces as directional hydrogen bonding, non-directional and long-range London dispersion forces and short-range steric repulsion between molecules. The detailed vibrational spectroscopic characterization and exploratory quantum chemical modeling of molecular recognition events and the complex hydrogen bond networks involved in micro-solvation of organic molecules have been a key interest in recent years. Examples from the experimental part of the research program include THz investigations of weakly bound cluster molecules embedded in soft “quantum matrices” of 99.9% spin-enriched para-hydrogen or isolated in high-throughput pulsed supersonic jet expansions (collaboration partner) and high-resolution THz synchrotron gas phase studies of prototypical systems at the large-scale synchrotron facilities SOLEIL Synchrotron and Canadian Light Source, Inc. In addition, the research group is engaged in several internal collaborations at DTU Chemistry concerned with spectroscopic characterization of novel metal-organic frameworks (molecular materials), organo-metallic complexes (catalysis and green chemistry), polymer blends (functional materials) and enzyme surfaces (biocatalysis). Another recent novel complementary activity is concerned with chemical mapping of material surfaces employing resonance-enhanced nano-IR surface spectroscopy at high spatial resolution (10 nm) beyond the diffraction limit. Selected Peer-Reviewed Journal Publications [83] S. Hafizi Yazdabadi, D. Mihrin, K. L. Feilberg and R. Wugt Larsen, "Spectroscopic and Quantum Chemical Evidence of Amine-CO2 and Alcohol-CO2 Interactions: Confirming an Intriguing Affinity of CO2 to Monoethanolamine (MEA)", Molecules, 29, 5521 (2024). Read/Download [Open Access, CC BY-NC-ND 4.0] [82] M. T. Nielsen, D. Mihrin, M. S. B. Jørgensen, X. Yan, R. W. Berg, X. Xiao, R. Wugt Larsen and M. Nielsen, "The Paddlewheel Complex of 1,8-Naphtyridine and Palladium(II)", Polyhedron, 265 (2025). Read/Download [81] J. Tiago, D. L. P. Nielsen, M. S. B. Jørgensen, R. Wugt Larsen and M. Nielsen, "Ruthenium Pincer Nitrosyl Complex Salts in Catalytic Transfer Hydrogenations under Mild Conditions", ChemRxiv Preprint, (2024). Read/Download [Open Access, CC BY-NC-ND 4.0] [80] A. T. Nikol, B. R. Montiel, M. S. B. Jørgensen, R. Wugt Larsen and M. Nielsen, "Formic Acid Dehydrogenation using Ruthenium-POP Pincer Complexes in Ionic Liquids", Scientific Reports, 14, 26209(2024). Read/Download [Open Access, CC BY-NC-ND 4.0] [79] S. Hafizi Yazdabadi, D. Mihrin, K. L. Feilberg and R. Wugt Larsen, "Self-Aggregation and Microhydration Mechanisms of Monoethanolamine: Far-Infrared Identification of Large-Amplitude Hydrogen Bond Libration", Journal of Chemical Physics, 161, 154301 (2024). Read/Download [78] M. Bödecker, D. Mihrin, M. A. Suhm and R. Wugt Larsen, "Regularities and Anomalies in Neon Matrix Shifts of Hydrogen-Bonded OH Stretching Fundamentals", Journal of Physical Chemistry A, 128, 7124 (2024). Read/Download [Open Access, CC BY-NC-ND 4.0] [77] D. Mihrin, K. L. Feilberg and R. Wugt Larsen, "Self-Association and Microhydration of Phenol: Identification of Large-Amplitude Hydrogen Bond Librational Modes", Molecules, 29, 3012 (2024). Read/Download [Open Access, CC BY-NC-ND 4.0] [76] X. Liu, J. McPherson, C. E. Andersen, M. S. B. Jørgensen, R. Wugt Larsen, F. Wilhelm, A. Rogalev, C. Göb, N. Yutronkie, M. Giménez-Marqués, G. M. Espallargas and K. S. Pedersen, "A Zero-Valent Palladium Cluster-Organic Network", Nature Communications, 15, 1177 (2024). Read/Download [Open Access, CC BY-NC-ND 4.0] [74] J. Kang, S. Zajforoushan Moghaddam, R. Wugt Larsen and E. Thormann, "A Biomimetic Water-Resistant Adhesive Based on ε-Polylysine/Tannic Acid Complexation", ACS Applied Polymer Materials, 5, 8216-8222 (2023). Read/Download [72] C. E. Andersen, J. N. McPherson, M. Giménez-Marqués, J. Li, M. Kubus, S. Ito, C. R. Göb, S. Ott, R. Wugt Larsen, G. M. Espallargas and K. S. Pedersen, "Vapor-Phase Synthesis of Low-Valent Metal-Organic Frameworks from Metal Carbonyl Synthons", Journal of Materials Chemistry C, 11, 11460-11465 (2023). Hot Paper. Inside Front Cover Read/Download [70] R. Padilla, Z. Ni, D. Mihrin, R. Wugt Larsen and M. Nielsen, "Catalytic Base-Free Transfer Hydrogenation of Biomass Derived Furanic Aldehydes with Bioalcohols and PNP Pincer Complexes", ChemCatChem 15, e202200819 (2023). Front Cover Read/Download [Open Access, CC BY-NC-ND 4.0] [68] D. Mihrin, A. Voute, P. W. Jakobsen, K. L. Feilberg and R. Wugt Larsen, "The Effect of Alkylation on the Micro-Solvation of Ethers Revealed by Highly Localized Water Librational Motion ", Journal of Chemical Physics156, 084305 (2022). Read/Download [67] H. Chen, L. Voigt, M. Kubus, D. Mihrin, S. Mossin, R. Wugt Larsen, S. Kegnæs, S. Piligkos and K. S. Pedersen, "Magnetic Archimedean Tessellations in Metal-Organic Frameworks", Journal of the American Chemical Society143, 14041-14045 (2021). Inside Front Cover Read/Download [66] L. Voigt, R. Wugt Larsen, M. Kubus and K. S. Pedersen, "Zero-Valent Metals in Metal-Organic Frameworks: fac-M(CO)3(pyrazine)3/2", Chemical Communications57, 3861-3864 (2021). Inside Front Cover Read/Download [61] M. G. Vinum, L. Voigt, S. H. Hansen, C. Bell, K. M. Clark, R. Wugt Larsen and K. S. Pedersen, "Ligand Field-Actuated Redox-Activity of Acetylacetonate", Chemical Science11, 8267-8272 (2020). Read/Download [Open Access, CC BY 3.0] [59] J. Andersen, R. Wugt Larsen, J. Ceponkus, P. Uvdal and B. Nelander, "Far-Infrared Investigation of the Benzene-Water Complex: The Identification of Large-Amplitude Motion and Tunneling Pathways", Journal of Physical Chemistry A124, 513-519 (2020). Read/Download [56] D. Mihrin, P. W. Jakobsen, A. Voute, L. Manceron andR. Wugt Larsen, "High-Resolution Infrared Synchrotron Investigation of (HCN)2 and a Semi-Experimental Determination of the Dissociation Energy". ChemPhysChem20, 3238-3244 (2019). Selected for "2019 Edition of SOLEIL Highlights" Read/Download [Open Access, CC BY 3.0] [53] D. Mihrin, J. Andersen, P. W. Jakobsen and R. Wugt Larsen, "Highly Localized H2O Librational Motion as a Sensitive Far-Infrared Spectroscopic Probe for Microsolvation of Organic Molecules". Physical Chemistry Chemical Physics21, 1717-1723 (2019). Read/Download [52] D. Mihrin and R. Wugt Larsen, "THz Spectroscopy of Weakly Bound Cluster Molecules in Solid Para-Hydrogen: A Sensitive Probe of van der Waals Interactions". Physical Chemistry Chemical Physics21, 349-358 (2019). Read/Download [51] D. Mihrin, P. W. Jakobsen, A. Voute, L. Manceron and R. Wugt Larsen, "High-Resolution Synchrotron Terahertz Investigation of the Large-Amplitude Hydrogen Bond Librational Band of (HCN)2". Physical Chemistry Chemical Physics20, 8241-8246 (2018). 2018 PCCP HOT Article Read/Download [50] J. Andersen, A. Voute, D. Mihrin, J. Heimdal, R. W. Berg, M. Torsson andR. Wugt Larsen, "Probing the Global Potential Energy Minimum of (CH2O)2 : THz Absorption Spectrum of (CH2O)2 in Solid Neon and Para-Hydrogen". Journal of Chemical Physics146, 244311 (2017). Read/Download [49] J. Andersen, J. Heimdal, B. Nelander and R. Wugt Larsen, "Competition between Weak OH··π and CH··O Hydrogen Bonds: THz Spectroscopy of the C2H2–H2O and C2H4–H2O Complexes". Journal of Chemical Physics146, 194302 (2017). Read/Download [47] M. Heger, J. Andersen, M. A. Suhm and R. Wugt Larsen, "The Donor OH Stretching-Libration Dynamics of Hydrogen-Bonded Methanol Dimers in Cryogenic Matrices". Physical Chemistry Chemical Physics18, 3739 (2016). Read/Download [Open Access, CC BY 3.0] [46] J. Andersen, J. Heimdal andR. Wugt Larsen, "Spectroscopic Identification of Ethanol-Water Conformers By Large-Amplitude Hydrogen Bond Librational Modes". Journal of Chemical Physics143, 224315 (2015). Read/Download [45] J. Andersen, J. Heimdal and R. Wugt Larsen, "The Influence of Large-Amplitude Librational Motion on the Hydrogen Bond Energy of Alcohol-Water Complexes". Physical Chemistry Chemical Physics 17, 23761 (2015). Read/Download [Open Access, CC BY 3.0] [44] F. Kollipost, J. Andersen, D. W. Mahler, J. Heimdal, M. Heger, M. A. Suhm and R. Wugt Larsen, "The Effect of Hydrogen Bonding on Torsional Dynamics: A Combined Far-Infrared Jet and Matrix Isolation Study of Methanol Dimer". Journal of Chemical Physics141, 174314 (2014). Read/Download [43] J. Andersen, J. Heimdal, D. W. Mahler, B. Nelander andR. Wugt Larsen, "THz Absorption Spectrum of the CO2–H2O Complex: Observation and Assignment of Intermolecular van der Waals Vibrations". Journal of Chemical Physics140, 091103 (2014). Read/Download [40] F. Kollipost, R. Wugt Larsen, A. V. Domanskaya, M. Nörenberg and M. A. Suhm, "The Highest Frequency Hydrogen Bond Vibration and an Experimental Value for the Dissociation Energy of Formic Acid Dimer". Journal of Chemical Physics136, 151101 (2012). Read/Download [37] M. Nedic, T. N. Wassermann, R. Wugt Larsen and M. A. Suhm, "A Combined Raman and Infrared Jet Study of Mixed Methanol-Water and Ethanol-Water Clusters". Physical Chemistry Chemical Physics13, 14050 (2011). Themed Issue: Weak Hydrogen Bonds – Strong Effects. Read/Download