SPP 1807:  Control of London Dispersion Interactions in Molecular Chemistry

• Subject Area: Chemistry ; Physics
• Term: from 2015 to 2023
• Website: Homepage
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 255533046

• Final Report Year: 2023

Final Report Abstract

London dispersion interactions are the driving force for molecular aggregation. As one of the fundamental interactions they play a key role in the thermodynamic stability, molecular recognition, chemical selectivity through transition-state stabilization, protein folding, enzyme catalysis etc. While dispersion interactions help rationalize many common phenonema such as well-established p-p interactions, the related s-p as well as s-s systems have been examined much less. A primary goal of this program was the development of chemical design principles that utilizes London dispersion interactions in the construction of novel molecular structures and chemical reactions. This was achieved through a tight interplay between synthesis, spectroscopy, and theory to quantitatively determine dispersion interactions in chemical (model) systems. The success of the priority program can be rated on the number of outstanding publications throughout the entire ensemble of different projects. There were many challenges to understand and to utilize London dispersion interactions for the preparation of novel molecular structures, to elucidate the transition from molecular to bulk properties, and catalysis through fine tuning of dispersion-energy donors for optimizing the interactions of ligands and substrates in transition states. The following subtopics were emphasized: • Structural studies and quantification of dispersion interactions: Quantification of dispersion-energy donors through systematic studies; Design and preparation of novel intra- or intermolecularly dispersion-stabilized structures. • Dispersion effects on reactivity and in catalysis: Transition-state stabilization through dispersion-energy donors; Solvent-induced modulation of dispersion interactions. • Theory and spectroscopy as tools for the elucidation of dispersion interactions: Experimental and theoretical method development to address dispersion interactions; Molecular spectroscopy to quantify dispersion effects and validate theoretical results. The program resulted in a large number of internationally recognized publications with numerous citations. We were able to set up a wide network with renowned scientists resulting in thriving cooperations and superb exchanges.

Publications

• 1, 8-Bis(phenylethynyl)anthracene – gas and solid phase structures. Organic & Biomolecular Chemistry, 13(33), 8893-8905.
  Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I. & Girichev, Georgiy V.
  
• Control over the Hydrogen‐Bond Docking Site in Anisole by Ring Methylation. Angewandte Chemie International Edition, 55(5), 1921-1924.
  Gottschalk, Hannes C.; Altnöder, Jonas; Heger, Matthias & Suhm, Martin A.
  
• Controlling the Subtle Energy Balance in Protic Ionic Liquids: Dispersion Forces Compete with Hydrogen Bonds. Angewandte Chemie International Edition, 54(9), 2792-2795.
  Fumino, Koichi; Fossog, Verlaine; Stange, Peter; Paschek, Dietmar; Hempelmann, Rolf & Ludwig, Ralf
  
• Directional properties of polar paramagnetic molecules subject to congruent electric, magnetic and optical fields. New Journal of Physics, 17(4), 045017.
  Sharma, Ketan & Friedrich, Bretislav
  
• London Dispersion Decisively Contributes to the Thermodynamic Stability of Bulky NHC-Coordinated Main Group Compounds. Journal of Chemical Theory and Computation, 12(1), 231-237.
  Wagner, J. Philipp & Schreiner, Peter R.
  
• London Dispersion in Molecular Chemistry—Reconsidering Steric Effects. Angewandte Chemie International Edition, 54(42), 12274-12296.
  Wagner, J. Philipp & Schreiner, Peter R.
  
• N-Acyl Amino Acid Ligands for Ruthenium(II)-Catalyzed meta-C–H tert-Alkylation with Removable Auxiliaries. Journal of the American Chemical Society, 137(43), 13894-13901.
  Li, Jie; Warratz, Svenja; Zell, Daniel; De Sarkar, Suman; Ishikawa, Eloisa Eriko & Ackermann, Lutz
  
• Polarisabilities of long conjugated chain molecules with density functional response methods: The role of coupled and uncoupled response. The Journal of Chemical Physics, 142(16).
  Heßelmann, Andreas
  
• Single‐Component Phosphinous Acid Ruthenium(II) Catalysts for Versatile C−H Activation by Metal–Ligand Cooperation. Chemistry – A European Journal, 22(4), 1248-1252.
  Zell, Daniel; Warratz, Svenja; Gelman, Dmitri; Garden, Simon J. & Ackermann, Lutz
  
• Supersymmetry and eigensurface topology of the spherical quantum pendulum. Physical Review A, 91(2).
  Schmidt, Burkhard & Friedrich, Bretislav
  
• The effect of dispersion forces on the interaction energies and far infrared spectra of protic ionic liquids. Physical Chemistry Chemical Physics, 17(21), 13790-13793.
  Ludwig, Ralf
  
• To fly or not to fly? The automatic influence of negation on language–space associations. Cognitive Processing, 16(S1), 203-207.
  Heger, Matthias; Altnöder, Jonas; Poblotzki, Anja & Suhm, Martin A.
  
• Vaporization, Sublimation Enthalpy, and Crystal Structures of Imidazo[1, 2-a]pyrazine and Phthalazine. Journal of Chemical & Engineering Data, 61(1), 370-379.
  Mori, Massiel; Rath, Nigam; Gobble, Chase; Chickos, James; Samarov, Artemiy A. & Verevkin, Sergey P.
  
• Water Structure Recovery in Chaotropic Anion Recognition: High‐Affinity Binding of Dodecaborate Clusters to γ‐Cyclodextrin. Angewandte Chemie International Edition, 54(23), 6852-6856.
  Assaf, Khaleel I.; Ural, Merve S.; Pan, Fangfang; Georgiev, Tony; Simova, Svetlana; Rissanen, Kari; Gabel, Detlef & Nau, Werner M.
  
• Water Structure Recovery in Chaotropic Anion Recognition: High‐Affinity Binding of Dodecaborate Clusters to γ‐Cyclodextrin. Angewandte Chemie, 127(23), 6956-6960.
  Assaf, Khaleel I.; Ural, Merve S.; Pan, Fangfang; Georgiev, Tony; Simova, Svetlana; Rissanen, Kari; Gabel, Detlef & Nau, Werner M.
  
• Wetting Camphor: Multi-Isotopic Substitution Identifies the Complementary Roles of Hydrogen Bonding and Dispersive Forces. The Journal of Physical Chemistry Letters, 7(1), 154-160.
  Pérez, Cristóbal; Krin, Anna; Steber, Amanda L.; López, Juan C.; Kisiel, Zbigniew & Schnell, Melanie
  
• 1, 4-Bis-Dipp/Mes-1, 2, 4-Triazolylidenes: Carbene Catalysts That Efficiently Overcome Steric Hindrance in the Redox Esterification of α- and β-Substituted α, β-Enals. Journal of the American Chemical Society, 138(8), 2670-2677.
  Yatham, Veera Reddy; Harnying, Wacharee; Kootz, Darius; Neudörfl, Jörg-M.; Schlörer, Nils E. & Berkessel, Albrecht
  
• A Boron‐Fluorinated Tris(pyrazolyl)borate Ligand (FTp*) and Its Mono‐ and Dinuclear Copper Complexes [Cu(FTp*)2] and [Cu2(FTp*)2]: Synthesis, Structures, and DFT Calculations. Chemistry – A European Journal, 22(23), 7935-7943.
  Augenstein, Timo; Dorner, Franziska; Reiter, Kevin; Wagner, Hanna E.; Garnier, Delphine; Klopper, Wim & Breher, Frank
  
• A General Strategy for the Nickel‐Catalyzed C−H Alkylation of Anilines. Angewandte Chemie International Edition, 55(9), 3153-3157.
  Ruan, Zhixiong; Lackner, Sebastian & Ackermann, Lutz
  
• Accurate dissociation energies of two isomers of the 1-naphthol⋅cyclopropane complex. The Journal of Chemical Physics, 145(16).
  Maity, Surajit; Knochenmuss, Richard; Holzer, Christof; Féraud, Géraldine; Frey, Jann; Klopper, Wim & Leutwyler, Samuel
  
• Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory. Journal of Chemical Theory and Computation, 13(1), 274-285.
  Sharapa, Dmitry I.; Margraf, Johannes T.; Hesselmann, Andreas & Clark, Timothy
  
• Anziehung gleich geladener Ionen in ionischen Flüssigkeiten: Kontrolle der Bildung kationischer Cluster über die Wechselwirkungsstärke der Gegenionen. Angewandte Chemie, 129(2), 510-514.
  Strate, Anne; Niemann, Thomas; Michalik, Dirk & Ludwig, Ralf
  
• Aromatic embedding wins over classical hydrogen bonding – a multi-spectroscopic approach for the diphenyl ether–methanol complex. Physical Chemistry Chemical Physics, 18(37), 25975-25983.
  Medcraft, Chris; Zinn, Sabrina; Schnell, Melanie; Poblotzki, Anja; Altnöder, Jonas; Heger, Matthias; Suhm, Martin A.; Bernhard, Dominic; Stamm, Anke; Dietrich, Fabian & Gerhards, Markus
  
• Calculations of magnetically induced current densities: theory and applications. WIREs Computational Molecular Science, 6(6), 639-678.
  Sundholm, Dage; Fliegl, Heike & Berger, Raphael J.F.
  
• Cobalt‐Catalyzed Oxidase C−H/N−H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents. Chemistry – A European Journal, 22(20), 6759-6763.
  Mei, Ruhuai; Wang, Hui; Warratz, Svenja; Macgregor, Stuart A. & Ackermann, Lutz
  
• Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative. The Journal of Chemical Physics, 145(16).
  Domingos, Sérgio R.; Pérez, Cristóbal & Schnell, Melanie
  
• Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation, 12(10), 4778-4792.
  Schneider, Wolfgang B.; Bistoni, Giovanni; Sparta, Manuel; Saitow, Masaaki; Riplinger, Christoph; Auer, Alexander A. & Neese, Frank
  
• Desymmetrization of an Octahedral Coordination Complex Inside a Self‐Assembled Exoskeleton. Chemistry – A European Journal, 22(31), 10791-10795.
  Johnstone, Mark D.; Schwarze, Eike K.; Ahrens, Jennifer; Schwarzer, Dirk; Holstein, Julian J.; Dittrich, Birger; Pfeffer, Frederick M. & Clever, Guido H.
  
• Dispersion and Hydrogen Bonding Rule: Why the Vaporization Enthalpies of Aprotic Ionic Liquids Are Significantly Larger than those of Protic Ionic liquids. Angewandte Chemie International Edition, 55(38), 11682-11686.
  Zaitsau, Dzmitry H.; Emel'yanenko, Vladimir N.; Stange, Peter; Schick, Christoph; Verevkin, Sergey P. & Ludwig, Ralf
  
• Dispersion und Wasserstoffbrücken bestimmend – Warum die Verdampfungsenthalpien von aprotischen größer als die von protischen ionischen Flüssigkeiten sind. Angewandte Chemie, 128(38), 11856-11860.
  Zaitsau, Dzmitry H.; Emel'yanenko, Vladimir N.; Stange, Peter; Schick, Christoph; Verevkin, Sergey P. & Ludwig, Ralf
  
• Dispersion-Corrected Mean-Field Electronic Structure Methods. Chemical Reviews, 116(9), 5105-5154.
  Grimme, Stefan; Hansen, Andreas; Brandenburg, Jan Gerit & Bannwarth, Christoph
  
• Dodecaborate-Functionalized Anchor Dyes for Cyclodextrin-Based Indicator Displacement Applications. Organic Letters, 18(5), 932-935.
  Assaf, Khaleel I.; Suckova, Olga; Al Danaf, Nader; von Glasenapp, Victoria; Gabel, Detlef & Nau, Werner M.
  
• Endohedral dynamics of push–pull rotor-functionalized cages. Chemical Communications, 52(68), 10411-10414.
  Krick, Marcel; Holstein, Julian; Würtele, Christian & Clever, Guido H.
  
• Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes. Chemical Reviews, 116(9), 5614-5641.
  Frey, Jann A.; Holzer, Christof; Klopper, Wim & Leutwyler, Samuel
  
• Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems. Chemical Physics, 479(c(2016, 11)), 160-169.
  Hehn, Anna-Sophia; Holzer, Christof & Klopper, Wim
  
• Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy. Physical Chemistry Chemical Physics, 18(25), 16682-16689.
  Domingos, Sérgio R.; Pérez, Cristóbal; Medcraft, Chris; Pinacho, Pablo & Schnell, Melanie
  
• Generation of Complex Azabicycles and Carbobicycles from Two Simple Compounds in a Single Operation through a Metal‐Free Six‐Step Domino Reaction. Chemistry – A European Journal, 22(15), 5189-5197.
  Bock, Christina M.; Parameshwarappa, Gangajji; Bönisch, Simon; Neiss, Christian; Bauer, Walter; Hampel, Frank; Görling, Andreas & Tsogoeva, Svetlana B.
  
• High-Affinity Host-Guest Chemistry of Large-Ring Cyclodextrins. Organic & Biomolecular Chemistry, 14, 7702- 7706.
  Assaf, Khaleel I.; Gabel, Detlef; Zimmermann, Wolfgang & Nau, Werner M.
  
• High-Resolution Rotational Spectroscopy Study of the Smallest Sugar Dimer: Interplay of Hydrogen Bonds in the Glycolaldehyde Dimer. Angewandte Chemie International Edition, 55, 5975-5980
  Zinn, Sabrina; Medcraft, Chris; Betz, Thomas & Schnell, Melanie
  
• Intermolecular dissociation energies of dispersively bound 1-naphthol⋅cycloalkane complexes. The Journal of Chemical Physics, 145(24).
  Maity, Surajit; Ottiger, Philipp; Balmer, Franziska A.; Knochenmuss, Richard & Leutwyler, Samuel
  
• Internal dynamics and guest binding of a sterically overcrowded host. Chemical Science, 7(7), 4676-4684.
  Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger & Clever, Guido H.
  
• Ketone-Assisted Ruthenium(II)-Catalyzed C–H Imidation: Access to Primary Aminoketones by Weak Coordination. ACS Catalysis, 6(5), 3172-3175.
  Raghuvanshi, Keshav; Zell, Daniel; Rauch, Karsten & Ackermann, Lutz
  
• Keto–Enol Thermodynamics of Breslow Intermediates. Journal of the American Chemical Society, 138(15), 5044-5051.
  Paul, Mathias; Breugst, Martin; Neudörfl, Jörg-Martin; Sunoj, Raghavan B. & Berkessel, Albrecht
  
• Local Molecular Orbitals from a Projection onto Localized Centers. Journal of Chemical Theory and Computation, 12(6), 2720-2741.
  Heßelmann, Andreas
  
• Mild C−H/C−C Activation by Z‐Selective Cobalt Catalysis. Angewandte Chemie International Edition, 55(26), 7408-7412.
  Zell, Daniel; Bu, Qingqing; Feldt, Milica & Ackermann, Lutz
  
• Molecular energies from an incremental fragmentation method. The Journal of Chemical Physics, 144(8).
  Meitei, Oinam Romesh & Heßelmann, Andreas
  
• On the Stability of Cyclophane Derivates Using a Molecular Fragmentation Method. ChemPhysChem, 17(23), 3863-3874.
  Meitei, Oinam Romesh & Heßelmann, Andreas
  
• Overcoming the Limitations of C−H Activation with Strongly Coordinating N‐Heterocycles by Cobalt Catalysis. Angewandte Chemie International Edition, 55(35), 10386-10390.
  Wang, Hui; Lorion, Mélanie M. & Ackermann, Lutz
  
• Pair-eigenstates and mutual alignment of coupled molecular rotors in a magnetic field. Physical Chemistry Chemical Physics, 18(19), 13467-13477.
  Sharma, Ketan & Friedrich, Bretislav
  
• Subtle solvation behaviour of a biofuel additive: the methanol complex with 2, 5-dimethylfuran. Physical Chemistry Chemical Physics, 18(39), 27265-27271.
  Poblotzki, Anja; Altnöder, Jonas & Suhm, Martin A.
  
• The Enantioselective Dakin–West Reaction. Angewandte Chemie International Edition, 55(8), 2719-2723.
  Wende, Raffael C.; Seitz, Alexander; Niedek, Dominik; Schuler, Sören M. M.; Hofmann, Christine; Becker, Jonathan & Schreiner, Peter R.
  
• Thermodynamics of Imidazolium-Based Ionic Liquids Containing PF6 Anions. The Journal of Physical Chemistry B, 120(32), 7949-7957.
  Zaitsau, Dzmitry H.; Yermalayeu, Andrei V.; Emel’yanenko, Vladimir N.; Butler, Simon; Schubert, Thomas & Verevkin, Sergey P.
  
• Uncovering Key Structural Features of an Enantioselective Peptide‐Catalyzed Acylation Utilizing Advanced NMR Techniques. Angewandte Chemie International Edition, 55(51), 15754-15759.
  Procházková, Eliška; Kolmer, Andreas; Ilgen, Julian; Schwab, Mira; Kaltschnee, Lukas; Fredersdorf, Maic; Schmidts, Volker; Wende, Raffael C.; Schreiner, Peter R. & Thiele, Christina M.
  
• Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain‐Based Local Pair Natural Orbital Coupled Cluster Study. Chemistry – A European Journal, 23(4), 865-873.
  Bistoni, Giovanni; Auer, Alexander A. & Neese, Frank
  
• Visualizing dispersion interactions through the use of local orbital spaces. Journal of Computational Chemistry, 38(1), 15-23.
  Wuttke, Axel & Mata, Ricardo A.
  
• Water-Induced Structural Changes in Crown Ethers from Broadband Rotational Spectroscopy. The Journal of Physical Chemistry Letters, 7(20), 4053-4058.
  Pérez, Cristóbal; López, Juan C.; Blanco, Susana & Schnell, Melanie
  
• When Like Charged Ions Attract in Ionic Liquids: Controlling the Formation of Cationic Clusters by the Interaction Strength of the Counterions. Angewandte Chemie International Edition, 56(2), 496-500.
  Strate, Anne; Niemann, Thomas; Michalik, Dirk & Ludwig, Ralf
  
• A general intermolecular force field based on tight-binding quantum chemical calculations. The Journal of Chemical Physics, 147(16).
  Grimme, Stefan; Bannwarth, Christoph; Caldeweyher, Eike; Pisarek, Jana & Hansen, Andreas
  
• A Heterobimetallic Pd–Zn Complex: Study of a d8–d10Bond in Solid State, in Solution, and in Silico. Organometallics, 36(8), 1465-1468.
  Oeschger, Raphael J. & Chen, Peter
  
• Alkyl-imidazolium tetrafluoroborates: Vapor pressure, thermodynamics of vaporization, and enthalpies of formation. Journal of Molecular Liquids, 242(c(2017, 9)), 951-957.
  Zaitsau, Dzmitry H.; Yermalayeu, Andrei V.; Schubert, Thomas J.S. & Verevkin, Sergey P.
  
• Attenuation of London Dispersion in Dichloromethane Solutions. Journal of the American Chemical Society, 139(37), 13126-13140.
  Pollice, Robert; Bot, Marek; Kobylianskii, Ilia J.; Shenderovich, Ilya & Chen, Peter
  
• Bi- and tridentate silicon-based acceptor molecules. Zeitschrift für Naturforschung B, 72(6), 383-391.
  Horstmann, Jan; Lamm, Jan-Hendrik; Strothmann, Till; Neumann, Beate; Stammler, Hans-Georg & Mitzel, Norbert W.
  
• Bismuth⋯π arene versus bismuth⋯halide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction. Dalton Transactions, 46(12), 3953-3962.
  Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich & Mehring, Michael
  
• Chemoselectivity in Esterification Reactions – Size Matters after All. Synthesis, 49(15), 3460-3470.
  Helberg, Julian; Marin-Luna, Marta & Zipse, Hendrik
  
• Cold Snapshot of a Molecular Rotary Motor Captured by High‐Resolution Rotational Spectroscopy. Angewandte Chemie, 129(37), 11361-11364.
  Domingos, Sérgio R.; Cnossen, Arjen; Buma, Wybren J.; Browne, Wesley R.; Feringa, Ben L. & Schnell, Melanie
  
• Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe–Salpeter equation. The Journal of Chemical Physics, 147(18).
  Holzer, Christof & Klopper, Wim
  
• Controlling the kinetic and thermodynamic stability of cationic clusters by the addition of molecules or counterions. Physical Chemistry Chemical Physics, 19(29), 18854-18862.
  Strate, Anne; Niemann, Thomas & Ludwig, Ralf
  
• Correcting the record: the dimers and trimers of trans-N-methylacetamide. Physical Chemistry Chemical Physics, 19(17), 10727-10737.
  Forsting, Thomas; Gottschalk, Hannes C.; Hartwig, Beppo; Mons, Michel & Suhm, Martin A.
  
• C–F/C–H Functionalization by Manganese(I) Catalysis: Expedient (Per)Fluoro-Allylations and Alkenylations. ACS Catalysis, 7(6), 4209-4213.
  Zell, Daniel; Dhawa, Uttam; Müller, Valentin; Bursch, Markus; Grimme, Stefan & Ackermann, Lutz
  
• Deeper Insight into the Six‐Step Domino Reaction of Aldehydes with Malononitrile and Evaluation of Antiviral and Antimalarial Activities of the Obtained Bicyclic Products. ChemistryOpen, 6(3), 364-374.
  Bock, Christina M.; Parameshwarappa, Gangajji; Bönisch, Simon; Bauer, Walter; Hutterer, Corina; Leidenberger, Maria; Friedrich, Oliver; Marschall, Manfred; Kappes, Barbara; Görling, Andreas & Tsogoeva, Svetlana B.
  
• Distal Weak Coordination of Acetamides in Ruthenium(II)‐Catalyzed C−H Activation Processes. Angewandte Chemie International Edition, 57(3), 765-768.
  Bu, Qingqing; Rogge, Torben; Kotek, Vladislav & Ackermann, Lutz
  
• Extension of the D3 dispersion coefficient model. The Journal of Chemical Physics, 147(3).
  Caldeweyher, Eike; Bannwarth, Christoph & Grimme, Stefan
  
• Facile access to potent antiviral quinazoline heterocycles with fluorescence properties via merging metal-free domino reactions. Nature Communications, 8(1).
  Held, Felix E.; Guryev, Anton A.; Fröhlich, Tony; Hampel, Frank; Kahnt, Axel; Hutterer, Corina; Steingruber, Mirjam; Bahsi, Hanife; von Bojničić-Kninski, Clemens; Mattes, Daniela S.; Foertsch, Tobias C.; Nesterov-Mueller, Alexander; Marschall, Manfred & Tsogoeva, Svetlana B.
  
• Full Selectivity Control in Cobalt(III)‐Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism. Angewandte Chemie International Edition, 56(35), 10378-10382.
  Zell, Daniel; Bursch, Markus; Müller, Valentin; Grimme, Stefan & Ackermann, Lutz
  
• Gas-phase structure of 1, 8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions. Physical Chemistry Chemical Physics, 19(20), 13093-13100.
  Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Blomeyer, Sebastian; Mitzel, Norbert W.; Rybkin, Vladimir V.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Giricheva, Nina I. & Girichev, Georgiy V.
  
• Gold nanoparticle aggregation enables colorimetric sensing assays for enzymatic decarboxylation. Analytical Methods, 9(19), 2784-2787.
  Nilam, Mohamed; Hennig, Andreas; Nau, Werner M. & Assaf, Khaleel I.
  
• Heteroaryl bismuthines: a novel synthetic concept and metal⋯π heteroarene interactions. Dalton Transactions, 46(25), 8269-8278.
  Preda, A. M.; Schneider, W. B.; Rainer, M.; Rüffer, T.; Schaarschmidt, D.; Lang, H. & Mehring, M.
  
• Heterocyclic bismuth(iii) compounds with transannular N→Bi interactions as catalysts for the oxidation of thiophenol to diphenyldisulfide. Catalysis Science & Technology, 7(22), 5343-5353.
  Toma, Ana M.; Raţ, Ciprian I.; Pavel, Octavian D.; Hardacre, Christopher; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Silvestru, Anca & Pârvulescu, Vasile I.
  
• Hierarchical host–guest assemblies formed on dodecaborate-coated gold nanoparticles. Chemical Communications, 53(33), 4616-4619.
  Assaf, Khaleel I.; Hennig, Andreas; Peng, Shu; Guo, Dong-Sheng; Gabel, Detlef & Nau, Werner M.
  
• HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host–Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy Contributions. The Journal of Physical Chemistry B, 121(49), 11144-11162.
  Assaf, Khaleel I.; Florea, Mara; Antony, Jens; Henriksen, Niel M.; Yin, Jian; Hansen, Andreas; Qu, Zheng-wang; Sure, Rebecca; Klapstein, Dieter; Gilson, Michael K.; Grimme, Stefan & Nau, Werner M.
  
• Influence of size, shape, heteroatom content and dispersive contributions on guest binding in a coordination cage. Chem. Commun., 53(87), 11933-11936.
  Löffler, Susanne; Wuttke, Axel; Zhang, Bo; Holstein, Julian J.; Mata, Ricardo A. & Clever, Guido H.
  
• Intermolecular Interaction Energies from Kohn–Sham Random Phase Approximation Correlation Methods. Non-Covalent Interactions in Quantum Chemistry and Physics (2017), 65-136. Elsevier.
  Heßelmann, Andreas
  
• Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid Dimers. Journal of the American Chemical Society, 139(46), 16696-16707.
  Fokin, Andrey A.; Zhuk, Tatyana S.; Blomeyer, Sebastian; Pérez, Cristóbal; Chernish, Lesya V.; Pashenko, Alexander E.; Antony, Jens; Vishnevskiy, Yury V.; Berger, Raphael J. F.; Grimme, Stefan; Logemann, Christian; Schnell, Melanie; Mitzel, Norbert W. & Schreiner, Peter R.
  
• Intramolecular π–π Interactions in Flexibly Linked Partially Fluorinated Bisarenes in the Gas Phase. Angewandte Chemie International Edition, 56(43), 13259-13263.
  Blomeyer, Sebastian; Linnemannstöns, Marvin; Nissen, Jan Hendrick; Paulus, Jannik; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• Intramolekulare π‐π‐Wechselwirkungen in flexibel verbrückten, teilweise fluorierten Bisarenen in der Gasphase. Angewandte Chemie, 129(43), 13443-13447.
  Blomeyer, Sebastian; Linnemannstöns, Marvin; Nissen, Jan Hendrick; Paulus, Jannik; Neumann, Beate; Stammler, Hans‐Georg & Mitzel, Norbert W.
  
• London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact. Journal of the American Chemical Society, 139(22), 7428-7431.
  Rösel, Sören; Quanz, Henrik; Logemann, Christian; Becker, Jonathan; Mossou, Estelle; Cañadillas-Delgado, Laura; Caldeweyher, Eike; Grimme, Stefan & Schreiner, Peter R.
  
• Low scaling random-phase approximation electron correlation method including exchange interactions using localised orbitals. The Journal of Chemical Physics, 146(17).
  Heßelmann, Andreas
  
• Manganese(I)‐Catalyzed Dispersion‐Enabled C−H/C−C Activation. Chemistry – A European Journal, 23(23), 5443-5447.
  Meyer, Tjark H.; Liu, Weiping; Feldt, Milica; Wuttke, Axel; Mata, Ricardo A. & Ackermann, Lutz
  
• Measuring Intermolecular Binding Energies by Laser Spectroscopy. CHIMIA, 71(1-2), 7.
  Knochenmuss, Richard; Maity, Surajit; Féraud, Géraldine & Leutwyler, Samuel
  
• Mild Cobalt(III)‐Catalyzed Allylative C−F/C−H Functionalizations at Room Temperature. Chemistry – A European Journal, 23(50), 12145-12148.
  Zell, Daniel; Müller, Valentin; Dhawa, Uttam; Bursch, Markus; Presa, Rubén Rubio; Grimme, Stefan & Ackermann, Lutz
  
• Multi-spectroscopic and theoretical analyses on the diphenyl ether–tert-butyl alcohol complex in the electronic ground and electronically excited state. Phys. Chem. Chem. Phys., 19, 18076 -18088
  Bernhard, Dominic; Dietrich, Fabian; Fatima, Mariyam; Perez, Cristobal; Poblotzki, Anja; Jansen, Georg; Suhm, Martin A.; Schnell, Melanie & Gerhards, Markus
  
• Non-Covalent Interactions in Quantum Chemistry and Physics. Elsevier.
  Alberto Otero de la Roza & Gino A. DiLabio (eds.)
  
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