Catharine Esterhuysen

Research interests

Publications

• Emerging metal−organic framework-based materials for photocatalytic and electrocatalytic NH3 synthesis: Design principles, structure-activity correlation, and mechanistic insights

  Coordination Chemistry Reviews · 2025 · 10.1016/j.ccr.2025.216543

• Dehydration of a crystal hydrate at subglacial temperatures

  Nature · 2023 · 10.1038/s41586-023-05749-7

• CO 2 -induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling

  Chemical Science · 2019 · 10.1039/c9sc04043a

• Trifluoromethyl: An Amphiphilic Noncovalent Bonding Partner

  ChemPhysChem · 2017 · 10.1002/cphc.201700027

• Solvent- and Pressure-Induced Phase Changes in Two 3D Copper Glutarate-Based Metal–Organic Frameworks via Glutarate (+gauche ⇄ −gauche) Conformational Isomerism

  Journal of the American Chemical Society · 2017 · 10.1021/jacs.7b01764

• Gold setting the “gold standard” among transition metals as a hydrogen bond acceptor – a theoretical investigation

  Dalton Transactions · 2017 · 10.1039/c7dt00329c

• Extreme Carbon Dioxide Sorption Hysteresis in Open‐Channel Rigid Metal–Organic Frameworks

  Angewandte Chemie International Edition · 2015 · 10.1002/anie.201408933

• Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond

  Angewandte Chemie International Edition · 2015 · 10.1002/anie.201508358

• Extreme Carbon Dioxide Sorption Hysteresis in Open‐Channel Rigid Metal–Organic Frameworks

  Angewandte Chemie · 2015 · 10.1002/ange.201408933

• Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid···Pyridine and Phenol···Pyridine Hydrogen Bonds

  Crystal Growth & Design · 2013 · 10.1021/cg4006357

• In Situ X‐ray Structural Studies of a Flexible Host Responding to Incremental Gas Loading

  Angewandte Chemie International Edition · 2012 · 10.1002/anie.201201281

• Extensive theoretical investigation: influence of the electrostatic environment on the I3 −···I3 − anion–anion interaction

  Theoretical Chemistry Accounts · 2012 · 10.1007/s00214-012-1281-0

• Distinguishing Carbones from Allenes by Complexation to AuCl

  Chemistry - A European Journal · 2011 · 10.1002/chem.201101213

• Extraction and transport of gold(III) using some acyl(aroyl)thiourea ligands and a crystal structure of one of the complexes

  Inorganic Chemistry Communications · 2010 · 10.1016/j.inoche.2010.01.010

• Synthesis Characterization Molecular Modeling of a Pharmaceutical Co-Crystal: (2-Chloro-4-Nitrobenzoic Acid):(Nicotinamide)

  Journal of Pharmaceutical Sciences · 2010 · 10.1002/jps.22211

• Concomitant Polymorphs of the Antihyperlipoproteinemic Bezafibrate

  Crystal Growth & Design · 2009 · 10.1021/cg8011298

• Reply to “Comment on the Comparative Use of the Electron Density and Its Laplacian”

  Chemistry - A European Journal · 2006 · 10.1002/chem.200600909

• Guest‐Induced Conformational Switching in a Single Crystal

  Angewandte Chemie International Edition · 2006 · 10.1002/anie.200602057

• Solid‐State Self‐Inclusion: The Missing Link

  Angewandte Chemie International Edition · 2006 · 10.1002/anie.200601665

• The Nature of the Chemical Bond Revisited: An Energy‐Partitioning Analysis of Nonpolar Bonds

  Chemistry - A European Journal · 2005 · 10.1002/chem.200400525

• Reactions of halogens with Pt(ii) complexes of N-alkyl- and N,N-dialkyl-N′-benzoylthioureas: oxidative addition and formation of an I2 inclusion compound

  Dalton Transactions · 2005 · 10.1039/b503653d

• Thione complexes of Rh(i): a first comparison with the bonding and catalytic activity of related carbene and imine compounds

  Dalton Transactions · 2004 · 10.1039/b414040k

• The nature of the chemical bond revisited. An energy partitioning analysis of diatomic molecules E2 (E=N–Bi, F–I), CO and BF

  Theoretical Chemistry Accounts · 2003 · 10.1007/s00214-003-0535-2

• Comparison of Side‐On and End‐On Coordination of E2 Ligands in Complexes [W(CO)5E2] (E=N, P, As, Sb, Bi, Si−, Ge−, Sn−, Pb−)

  Chemistry - A European Journal · 2003 · 10.1002/chem.200304723

• Biphasic hydroformylation in new molten salts—analogies and differences to organic solvents

  Journal of the Chemical Society Dalton Transactions · 2002 · 10.1039/b107720a

Current projects

No projects listed.