Gauging the Strength of the Molecular Halogen Bond via Experimental Electron Density and Spectroscopy.
F. Otte, J. Kleinheider, B. Grabe, W. Hiller, F. Busse, R. Wang, N. M. Kreienborg, C. Merten, U. Englert, C. Strohmann; ACS Omega 2023, 8, 21531.A Rigid Linker for Site-Selective Coordination of Transition Metal Cations: Combining an Acetylacetone with a Caged Phosphine.
H. Gildenast, G. Hempelmann, L. Gruszien, U. Englert; Inorg. Chem. 2023, 62, 3178-3185.Zwitterion coordination to hard cations: synthesis and characterization of betaine coordination compounds with divalent Mg, Ca, Sr and Ba and of trivalent Y, La and Pr.
H. Gildenast, S. van Terwingen, L. Wendland, J. N. Neumann, I. Kalf, H. Fränzl, U. Englert; Inorg. Chim. Acta 2022, 546, 121283.Three for the Price of One: Concomitant I···N, I···O, and I···pi Halogen Bonds in the Same Crystal Structure.
S. van Terwingen, R. Wang, U. Englert; Molecules 2022, 27, 7550.Design and synthesis of three new copper coordination polymers: efficient degradation of an organic dye at alkaline pH.
X. Liu, L. Lu, M. Zhu, U. Englert; Dalton Trans. 2021, 50, 13866.Coordination of a Potentially Tritopic Ligand via Phosphorus, Nitrogen and Oxygen: From Ligand Design to Heterobimetallic Metal-Organic Frameworks and Supramolecules.
H. Gildenast, F. Busse, U.Englert; Cryst. Growth Des. 2021, 21, 5807.Hydrogen-Bonded and Halogen-Bonded: Orthogonal Interactions for the Chloride Anion of a Pyrazolium Salt.
S. van Terwingen, D. Brüx, R. Wang, U. Englert; Molecules 2021, 26, 3982.N-Donor-Functionalized Acetylacetones for Heterobimetallic Coordination Polymers, the Next Episode: Trimethylpyrazoles.
S. van Terwingen, N. Nachtigall, B. Ebel, U. Englert; Cryst. Growth Des. 2021, 21, 2962-2969.Weak yet Decisive: Molecular Halogen Bond and Competing Weak Interactions of Iodobenzene and Quinuclidine.
F. Otte, J. Kleinheider, W. Hiller, R. Wang, U. Englert, C. Strohmann; J. Am. Chem. Soc. 2021, 143, 4133-4137.Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid.
D. Mroz, R. Wang, U. Englert, R. Dronskowski; CrystEngComm 2021, 23, 1052-1058.Systematic screening for k type phase transitions - general approach and positive example for a binuclear Cu(II) paddlewheel structure.
R. Strothmann, S. van Terwingen, I. Kalf, U. Englert; CrystEngComm 2021, 23, 841-849.Homologous series of coordination polymers based on semi-rigid tricarboxylato-bridged Co2+/Ni2+: Syntheses, structures, and magnetic properties.
Y. An, L. Lu, M. Zhu, J. van Leusen, U. Englert; Inorg. Chim. Acta 2021, 515, 120045.Coordination Compounds Featuring Non-Toxic Chiral 1,4-Dicarboxylic Acids and Copper(II).
M. Kremer, J. van Leusen, U. Englert; Crystals 2020, 10, 485.Can we trust the experiment? Anisotropic displacement parameters in 1-(halogenmethyl)-3-nitrobenzene (halogen = Cl, Br).
D. Mroz, R. Wang, U. Englert, R. Dronskowski; Acta Crystallogr. 2020, C76, 591-597.3-(4-Methylthiophenyl)acetylacetone - ups and downs of flexibility in the synthesis of mixed metal-organic frameworks. Ditopic bridging of hard and soft cations and site-specific desolvation.
H. Gildenast, S. Nölke, U. Englert; CrystEngComm 2020, 22, 1041-1049.The many flavours of halogen bonds - message from experimental electron density and Raman spectroscopy.
R. Wang, J. George, S. K. Potts, M. Kremer, R. Dronskowski, U. Englert; Acta Crystallogr. 2019, C75, 1190-1201. details and online articleArgentophilic Interactions in Two Ag Complexes of 3-(2-(Pyridin-4-yl)ethyl)pentane-2,4-dione, a Promising Ditopic Ligand.
S. van Terwingen, U. Englert; Crystals 2019, 9, 414-423.Insight into trifluoromethylation - experimental electron density for Togni reagent I.
R. Wang, I. Kalf, U. Englert; RSC Adv. 2018, 8, 34287-34290. read onlineShort is strong: experimental electron density in a very short N...I halogen bond.
R. Wang, D. Hartnick, U. Englert; Z. Kristallogr. 2018, 233, 733-744.Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170 K.
K.-N. Truong, M. Meven, U. Englert; Acta Crystallogr. 2018, C74, 1635-1640.N Donor substituted acetylacetones - versatile ditopic ligands.
M. Kremer, U. Englert; Z. Kristallogr. 2018, 233, 437-452.Crystal-to-crystal transformation from the triclinic to the cubic crystal system by partial desolvation.
Q. Guo, I. Kalf, U. Englert; Front. Chem. Sci. Eng. read onlineOrganic-inorganic hybrid materials from divalent metal cations and expanded N,N'-donor linkers
M. Zahedi, B. Shaabani, U. Englert, J. van Leusen; Z. Kristallogr. 2018, 233, 97-111.Phase transition and proton ordering at 50 K in 3-(pyridin-4-yl)pentane-2,4-dione.
K.-N. Truong, C. Merkens, M. Meven, B. Fassbänder, R. Dronskowski, U. Englert; Acta Crystallogr. 2017, B73, 1172-1178.3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
K.-N. Truong, C. Merkens, U. Englert; Acta Crystallogr. 2017, B73, 981-991.Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies.
Q. Guo, U. Englert; Dalton Trans. 2017, 46, 8514-8523.Plane-Wave Density Functional Theory Meets Molecular Crystals: Thermal Ellipsoids and Intermolecular Interactions.
V. L. Deringer, J. George, R. Dronskowski, U. Englert; Acc. Chem. Res. 2017, 50, 1231-1239.Controlled stepwise synthesis of a Cu-MOF: Transmetallation of a magnesium precursor to a three-dimensional framework with very high solvent content.
Q. Guo, U. Englert; Z. Krist. 2017, 232, DOI 10.1515/zkri-2017-2051.Charge-Assisted Halogen Bonds in Halogen-Substituted Pyridinium Salts: Experimental Electron Density.
A. Wang, R. Wang, I. Kalf, A. Dreier, C. W. Lehmann, U. Englert; Cryst. Growth Des. 2017, 17, 2357-2364.Dynamic Uptake and Release of Water in the Mixed-Metal EDTA Complex M3[Yb(EDTA)(CO3)] (M = K, Rb, Cs).
K.-N. Truong, P. Müller, R. Dronskowski, U. Englert; Cryst. Growth Des. 2017, 17, 80-88.An acetylacetonate or a pyrazole? Both! 3-(3,5-dimethyl-pyrazol-4-yl)-pentane-2,4-dione as a ditopic ligand.
Q. Guo, U. Englert; Cryst. Growth Des. 2016, 16, 5127-5135.Anisotropic thermal motion in transition-metal carbonyls from experiment and ab initio theory.
V. L. Deringer, A. Wang, J. George, R. Dronskowski, U. Englert; Dalton Trans. 2016, 45, 13680-13685.Decomposition of the mixed-metal coordination polymer - A preparation route of the active Ag/Yb2O3 catalyst for the deN2O process.
M. Konkol, M. Kondracka, P. Kowalik, W. Prochniak, K. Michalska, A. Schwedt, C. Merkens, U. Englert; Appl. Cat. B: Environ. 2016, 190, 85-92.Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid.
A. Wang, J. Ashurov, A. Ibragimov, R. Wang, H. Mouhib, N. Mukhamedov, U. Englert; Acta Crystallogr. 2016, B72, 142-150.Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.
R. Laubenstein, M.-D. Serb, U. Englert, G. Raabe, T. Braun, B. Braun; Chem. Commun. 2016, 52, 1214-1217.Silver Complexation by Metallacryptates.
K. Lamberts, M. Tegoni, X. Jiang, H. Kou, U. Englert; Dalton Trans. 2016, 45, 284-295.Platinum(IV) complexes of primary amines via oxidative addition.
W. Raven, I. Kalf, U. Englert; J. Organomet. Chem. 2015, 794, 146-152.Incidental Polymorphism, Non-Isomorphic and Isomorphic Substitution in Calcium-Valine Coordination Polymers.
K. Lamberts, U. Englert; Crystals 2015, 5, 261-272.Cleavage of the Pt-I bond in a Primary Cycloplatinated Amine by Chelation.
W. Raven, I. Kalf, U. Englert; Crystals 2015, 5, 244-251.Biguanide and squaric acid as pH-dependent building blocks in crystal engineering.
M.-D. Serb, I. Kalf, U. Englert; CrystEngComm 2014, 16, 10631-10639.A cationic aqua complex of an orthoplatinated primary amine - A versatile intermediate for derivatization.
W. Raven, P. Hermes, I. Kalf, J. Schmaljohann, U. Englert; J. Organomet. Chem. 2014, 766, 34-39.An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks.
K. Lamberts, S. Porsche, B. Hentschel, T. Kuhlen, U. Englert; CrystEngComm 2014, 16, 3305-3311.N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides.
F. Pan, U. Englert; Cryst. Growth Des. 2014, 14, 1057-1066.Intermolecular contacts in bromomalonic aldehyde - intuition, experiment, and theory.
V. L. Deringer, F. Pan, J. George, P. Müller, R. Dronskowski, U. Englert; CrystEngComm 2014, 16, 135-138.3-(4-Pyridyl)-2,4-pentanedione - a bridge between coordinative, halogen, and hydrogen bonds.
C. Merkens, F. Pan, U. Englert; CrystEngComm 2013, 15, 8153-8158.Charge Density of Intra- and Intermolecular Halogen Contacts.
R. Wang, T. S. Dols, C. W. Lehmann, U. Englert; Z. Anorg. Allg. Chem. 2013, 639, 1933-1939.Crystal-to-Crystal Transformations in a Seven-Coordinated Scandium Complex.
C. Merkens, O. Pecher, F. Steuber, S. Eisenhut, A. Görne, F. Haarmann, U. Englert; Z. Anorg. Allg. Chem. 2013, 639, 340-346.Competing protonation sites in sulfadiazine: answers from chemistry and electron density.
F. Pan, R. Wang, U. Englert; CrystEngComm 2013, 15, 1164-1172.Structures from MnX2 and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers.
K. Lamberts, U. Englert; Acta Crystallogr. 2012, B68, 610-618.The halogen bond made visible: Experimental charge density of a very short intermolecular Cl...Cl donor-acceptor contact.
R. Wang, T. Dols, C. W. Lehmann, U. Englert; Chem Commun. 2012, 48, 6830-6832.Bimetallic Coordination Networks based on Al(acacCN)3: A Building Block between Inertness and Lability.
C. Merkens, N. Becker, K. Lamberts, U. Englert; Dalton Trans. 2012, 41, 8594-8599.Ordered Bimetallic Coordination Networks featuring Rare Earth and Silver Cations.
C. Merkens, U. Englert; Dalton Trans. 2012, 41, 4664-4673.Switching from Bonding to Non-Bonding - Temperature-dependent Metal Coordination in a Zn(II) Sulfadiazine Complex.
F. Pan, R. Wang, U. Englert; Inorg. Chem. 2012, 51, 769-771.The Whole Range of Hydrogen Bonds in One Crystal Structure: Neutron Diffraction and Charge Density Studies of N,N-Dimethylbiguanidinium-Bis(hydrogensquarate).
M. Serb, R. Wang, M. Meven, U. Englert; Acta Crystallogr. 2011, B67, 552-559."Los geht die Zeitreise durch die Welt der Farben!" Eine Chemie-AG zum Thema Farben und Farbigkeit an der RWTH Aachen.
N. Boymans, U. Hamacher, U. Englert; PdN Chemie in der Schule 2011, 60, 40-47.Tunable Crystal-to-Crystal Phase Transition in a Cadmium Halide Chain Polymer.
K. Lamberts, I. Kalf, A. Ramadan, P. Müller, R. Dronskowski, U. Englert; Polymers 2011, 3, 1151-1161.The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate.
I. Kalf, U. Englert; Acta Crystallogr. 2011, C67, o206-o208.One of the most complex "small molecule structures" ever reported: 16 independent molecules in the asymmetric unit for an ortho-palladated primary amine.
B. Braun, I. Kalf, U. Englert; Chem. Commun. 2011, 3846-3848.Isomorphous catena transition metal squarates [MII(C4O4)(dmso)2(OH2)2] (M = Co, Mn) and magnetic investigation into their solid solution M = CoxMn1-x.
M.-D. Serb, M. Speldrich, H. Lueken, U. Englert; Z. Anorg. Allg. Chem. 2011, 637, 536-542.The Conformation of Odorants in Different States of Aggregation : A Joint Venture in Microwave Spectroscopy and X-ray Diffraction.
H. Mouhib, D. Jelisavac, W. Stahl, R. Wang, I. Kalf, U. Englert; ChemPhysChem 2011, 12, 761-764.Hydrido phosphanido bridged polynuclear complexes obtained by protonation of a phosphinito bridged Pt(I) complex with HBF4 and HF.
M. Latronico, P. Mastrorilli, V. Gallo, M. M. Dell'Anna, F. Creati, N. Re, U. Englert; Inorg. Chem. 2011, 50, 3539-3558.From crystal to crystal: A new polymorph of (4-carboxylato-pyridine)silver(I) by topotactic dehydration of its monohydrate.
I. Kalf, P. Mathieu, U. Englert; New J. Chem. 2010, 34, 2491-2495.A New Chain Polymer via Thermolysis: [Hg(µ-Br)2(3,5-Br2py)]∞.
C. Merkens, I. Kalf, U. Englert; Z. Anorg. Allg. Chem. 2010, 636, 681-684.Silver coordination polymers with remarkably high packing coefficients.
Y. Wang, M. Serb, U. Englert; Struct. Chem. 2010, 21, 203-211.Halide-bridged polymers of divalent metals with donor ligands - structures and properties.
U. Englert; Coord. Chem. Rev. 2010, 254, 537-554.Weak interactions in chain polymers [M(µ-X)2L2]∞ (M = Zn, Cd; X = Cl, Br; L = substituted pyridine) - an electron density study.
R. Wang, C. W. Lehmann, U. Englert; Acta Crystallogr. 2009, B65, 600-611.Bimetallic Coordination Polymers via Combination of Substitution-Inert Building Blocks and Labile Connectors.
M. Kondracka, U. Englert; Inorg. Chem. 2008, 47, 10246-10257.Orthoplatination of Primary Amines.
B. Calmuschi-Cula, U. Englert; Organometallics 2008, 27, 3124-3130.The First Linear Coordination Oligomer Linked by 4,4'-Bipyridine.
Y. Wang, U. Englert; Eur. J. Inorg. Chem. 2007, 5623-5625.Pyridine complexes of mercury(II)halides: Implications of a soft metal center for crystal engineering.
C. Hu, I. Kalf, U. Englert; CrystEngComm 2007, 9, 603-610.Reactivity of (Ferrocenylmethyl)phosphine toward Palladium and Platinum Chlorides. X-ray Structure of [Pd(PH2CH2Fc)Cl(mu-PHCH2Fc)]4 (Fc=Ferrocenyl), a Unique Complex Containing a Pd4P4 Cycle.
M.M. Dell'Anna, U. Englert, M. Latronico, P.L. Luis, P. Mastrorilli, D.G. Papa, C.F. Nobile, M. Peruzzini; Inorg. Chem. 2006, 45, 6892-6900.Unexpected solids from enantiopure cationic palladium complexes and racemic anions: A structural study of chiral non-discrimination.
I. Kalf, R. Wang, U. Englert; J. Organomet. Chem. 2006, 691, 2277-2285.Space Filling Versus Symmetry: Two Consecutive Crystal-to-Crystal Phase Transitions in a 2D Network.
C. Hu, U. Englert; Angew. Chem. Int. Ed. 2006, 45, 3457-3459.Single-crystal to single-crystal transformation from chain polymer to two dimensional network at very low temperatures.
C. Hu, U. Englert; Angew. Chem. Int. Ed. 2005, 44, 1852-1857.Crystal engineering based on preferred mirror image recognition in square planar Pd(II) complexes.
B. Calmuschi, U. Englert; CrystEngComm 2005, 7, 171-176.Conformational Dimorphism of 1,1,3,3,5,5-hexachloro-1,3,5-trigermacyclohexane: Solvent-Induced Crystallization of a Metastable Polymorph Containing Boat-Shaped Molecules.
V. Ischenko, U. Englert, M. Jansen; Chem. Eur. J. 2005, 11, 1375-1383.Ordered binary crystals via cocrystallisation of quasiracemic Pd(II) complexes in a borderline regime between inertness and lability.
B. Calmuschi, M. Alesi und U. Englert; Dalton Trans. 2004, 1852-1857.Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene.
Q. Li, C. Hu, R. Haerter, U. Englert; CrystEngComm 2004, 6, 83-86.Structural trends in one and two dimensional coordination polymers of cadmium(II) with halide bridges and pyridine-type ligands
C. Hu, Q. Li, U. Englert; CrystEngComm 2003, 5, 519-529Reversible crystal-to-crystal phase transition in dibromobis(4-vinylpyridine)zinc
C. Hu, J. Huster, U. Englert; Z. Kristallogr. 2003, 218, 761-765Cobalt complexes derived from chiral quasi-racemic ligands as building blocks for binary crystals
S. Reemers, U. Englert; Inorg. Chem. Commun 2002, 5, 829-831Chiral Cr(III) and Co(III) complex cations as building blocks for ordered and disordered salts
I. Kalf, B. Calmuschi, U. Englert; CrystEngComm 2002, 4, 548-551Chirality and Order in Binary Molecular Crystals of Inert Cobalt(III) Complexes Chirality and Order in Binary Molecular Crystals of Inert Cobalt(III) Complexes
U. Englert, A. Häring, C. Hu, I. Kalf; Z. Anorg. Allg. Chemie 2002, 628,1173-1179Coordination polymers based on cadmium(II)pyridine complexes: Synthesis, range of existence, and structure
C. Hu, U. Englert; CrystEngComm 2002, 4, 20-25Polymeric versus monomeric and tetrahedral versus octahedral coordination in zinc(II) pyridine complexes
C. Hu, U. Englert; CrystEngComm 2001, 3, 91-95Three Conformational Polymorphs of Di-µ-chlorotetrakis(1-methylboratabenzene)diyttrium:Synthesis, X-ray Structures, Quantum Chemical Calculations, and Lattice Energy Minimizations
X. Zheng, B. Wang, U. Englert, G.E. Herberich; Inorg. Chem. 2001, 40, 3117-3123Cocrystallization of chiral cobalt complexes via formation of quasiracemates
U. Englert, R. Härter, C. Hu, I. Kalf, X. Zheng; Z. Kristallogr. 2000, 215, 627-631Correlation of intra and intermolecular hydrogen bridges in bis(dimethylglyoximato)cobalt(III) complexes.
U. Englert, M. Kirch, N. Knur; Z. Kristallogr. 2000, 215, 260-263Crystal structure of aquabis(dimethylglyoximato)nitrocobalt(III)based on neutron diffraction data
U. Englert, G. Heger, E. Kümmerle, R. Wang; Z. Kristallogr. 1999, 214, 71-74Heterometallic Borole Complexes of Iron and Gold
P. Braunstein, G.E. Herberich, M. Neuschütz, M.U. Schmidt, U.Englert, P. Lecante, A. Mosset; Organometallics 1998, 17,2177-2182, WAXS studyReversible Topotactic Hydration and Dehydration of an Europium Complex
U. Englert, B. Ganter, T. Wagner, and W. Kläui; Z. Anorg.Allg. Chem. 1998, 624, 970-974Borole Derivatives. 24. Synthesis of Cationic(Arene)(phenylborole)rhodium Complexes
G.E. Herberich, H.J. Eckenrath, U. Englert; Organometallics 1998, 17, 519-523, WAXS study.Packing Effects in Organometallic Compounds:A Study of Five Mixed Crystals
U. Englert, T. Wagner; Struct. Chem. 1997, 8, 357-365Methylbis(1-methylboratabenzol)indium: Synthesis and Structure. An Example for the Variability of Soft Structural Parameters in the Crystalline Environment
U. Englert, G.E. Herberich, J. Rosenplänter; Z. anorg. allg. Chem. 1997, 623, 1098-1102.Topotactic reversible phase transition between room temperature and a new low temperature modification in the MCI3(THF)3system
U. Englert, F. Calderazzo, G. Pampaloni; Struct. Chem. 1997, 8, 237-243Prediction of Crystal Structures
M. U. Schmidt, U. Englert; J. Chem. Soc. Dalton Trans. 1996, 2077-2082Solvent Intercalation in Cobalt Dimethylglyoximato Complexes: A Miniature Host-Guest System
U. Englert, A. Fischer, A. Gammersbach; Struct. Chem. 1995, 6, 115-119
Single-Crystal X-Ray Diffraction. In Handbook of Solid State Chemistry
U. Englert; R. Dronskowski, S. Kikkawa, A. Stein Eds., Wiley VCH, Weinheim/Germany, 2017, 3, 1-28Lattice energy methods for inorganic molecular solids. In Advances in Molecular Structure Research
U. Englert; M. Hargittai and I. Hargittai Eds., JAI Press Inc.: Greenwich, Connecticut, 2000, 6, 49-74Kristallchemie anorganischer Molekülverbindungen
U. Englert, Habilitation Thesis, Berichte aus der Chemie, Shaker-Verlag, ISBN 3-8265-2596-5, 1997