The Young Crystallographers‘ Publications 2017

Many thanks to Falk Meutzner for compiling this list!

(Note: This list should contain all first-author publications of members of the DGK’s Young Crystallographers published in 2017. Please report any manuscripts that are missing or any errors to the team of the Young Crystallographers.)

Qianqian Guo, et al., Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies, Dalton Transactions 46, 8514-8523 (2017).

Qianqian Guo, et al., Controlled stepwise synthesis of a Cu-MOF: Transmetallation of a magnesium precursor to a three-dimensional framework with very high solvent content, Zeitschrift für Kristallographie – Crystalline Materials 232, (2017).

Khai-Nghi Truong , et al., Favored Conformations of Carbonyl Compounds: A Structural Study of n-Octanal, Chem Phys Chem 18, 2631-2636 (2017).

Khai-Nghi Truong , et al., A whole zoo of hydrogen bonds in one crystal structure: Tris(isonicotinium) hydrogensulfate sulfate monohydrate, Acta Cryst. C 73, 525-530 (2017).

Khai-Nghi Truong , et al., 3-(Pyridin-4-yl)acetylacetone: Cd II and Hg II compete for nitrogen coordination, Acta Cryst. C 73, 724-730 (2017).

Khai-Nghi Truong , et al., 3-(Pyridin-4-yl)acetylacetone: A donor ligand towards mercury(II) halides and a versatile linker for complex materials, Acta Cryst. B 73, 981-991 (2017).

Khai-Nghi Truong , et al., Phase transition and proton ordering at 50 K in 3-(pyridin-4-yl)pentane-2,4-dione, Acta Cryst. B 73, 1172-1178 (2017).

Khai-Nghi Truong , et al., Dynamic Uptake and Release of Water in the Mixed-Metal EDTA Complex M3[Yb(EDTA)(CO3)] (M = K, Rb, Cs), Crystal Growth & Design 17, 80-88 (2017).

Ai Wang, et al., Ni—H… X ( X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts, Acta Cryst C 73, 803-809 (2017).

Ai Wang, et al., Charge-Assisted Halogen Bonds in Halogen-Substituted Pyridinium Salts: Experimental Electron Density, Crystal Growth & Design 17, 2357-2364 (2017).

Julia Dshemuchadse, et al., Special Issue „Complex intermetallics – structures and properties“, Zeitschrift für Kristallographie – Crystalline Materials 7-9, 485-486 (2017).

Katharina Marquardt, et al., The structure and composition of olivine grain boundaries: 40 years of studies, status and current developments, Physics and Chemistry of Materials 45, 139-172 (2017).

Katharina Marquardt, et al., Quantitative electron backscatter diffraction (EBSD) data analyses using the dictionary indexing (DI) approach: Overcoming indexing difficulties on geological materials, American Mineralogist 102, 1843-1855 (2017).

Lilith Domnik, et al., CODH-IV: eine hocheffiziente CO-Dehydrogenase mit Resistenz gegen O2, Angewandte Chemie International Edition 129, 15670-15674 (2017).

Dennis Wiedemann, et al., Diffusion Pathways and Activation Energies in Crystalline Lithium-Ion Conductors, Zeitschrift für physikalische Chemie 231, 1279-1302 (2017).

Dennis Wiedemann, et al., Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7, Acta Cryst C 73, 654-659 (2017).

Felix Wiethoff, et al., P-V-T behavior of FeO(OH) and MnO(OH), Physics and Chemistry of Minerals 44, 567-576 (2017).

Magdalena Schacherl, et al., Crystallographic and biochemical characterization of the dimeric architecture of site-2 protease, Biochimica et Biophysica Acta (BBA) – Biomembranes 1859, 1859-1871 (2017).

Michael Fischer, et al., Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations, J. Chem. Phys. 146, 174111 (2017).

Michael Fischer, et al., Computational evaluation of aluminophosphate zeotypes for CO2/N2 separation, Phys. Chem. Chem. Phys. 19, 22801-22812 (2017).

Kristin Hoffmann, et al., Crystal chemical characterization of mullite-type aluminum borate compounds., J. Solid State Chem. 247, 173-187 (2017).

Kristin Hoffmann, et al., Crystal chemical characterization of mullite-type aluminum borate compounds, Journal of Solid State Chemistry 247, 173-187 (2017).

Michael Teck, et al., Structural and spectroscopic comparison between polycrystalline, nanocrystalline and quantum dot visible light photo-catalyst Bi2WO6., J. Solid State Chem. 254, 82-89 (2017).

Kent Griffith, et al., Structural Stability from Crystallographic Shear in TiO2–Nb2O5 Phases: Cation Ordering and Lithiation Behavior of TiNb24O62, Inorg Chem 56, 4002 (2017).

Wei Meng, et al., Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13, Chem. Mater. 29, 5513-5524 (2017).

Oliver Pecher, et al., Enhanced efficiency of solid-state NMR investigations of energy materials using an external automatic tuning/matching (eATM) robot, Journal of Magnetic Resonance 275, 127-136 (2017).

Oliver Pecher, et al., Materials’ Methods: NMR in Battery Research, Chem. Mater. 29, 213-242 (2017).

Mohammed Ait Haddouch, et al., Structural, electronic and optical properties of double perovskite oxide BaSrMgTeO 6, Journal of Applied Surfaces and Interfaces 1, 1-6 (2017).

Lalitha Kodumdi Venkataraman, et al., Hardening of electromechanical properties in piezoceramics using a composite approach, Applied Physics Letters 111, 22905 (2017).

Sven Jachalke, et al., How to measure the pyroelectric coefficient?, Applied Physics Reviews 4, 21303 (2017).

Erik Mehner, et al., Anomalous ferroelectricity in P(VDF70-TrFE30), Ferroelectrics 510, 132151 (2017).

Falk Meutzner, et al., Identification of solid oxgen-containing Na-electrolytes: An assessment based on crystallographic and economic parameters, Crystal Research & Technology 52, 1600223 (2017).

Hartmut Stöcker, et al., Strontium titanate: From symmetry changes to functionality, Crystal Research & Technology 52, 1600222 (2017).

Lisa Schindler, et al., The pentasulfates A2[S5O16] (A = Li, Na, Cs, Ag): Rare species by reactions in SO3, Eur. J. Inorg. Chem. 5, 958-964 (2017).

Lisa Schindler, et al., Hydrogenium-bis-hydrogensulfate anions adjacent to [S2O7]2- in Rb3[S2O7][H(HSO4)2]: a structural evidence of the increasing acidity of polysulfuric acids with growing chain length, Zeitung für Naturforschung B 72, 62-68 (2017).

Lisa Schindler, et al., Increasing H2SO4 contents in polysulfates cresting in the new hydrogenium-bis-hydrogendisulfate anion [H(HS2O7)2]-: Li2[S2O7]?H2SO4, Li[HS2O7], and Li[H(HS2O7)2], New J. Chem. 41, 56-62 (2017).

Tina Sorgenfrei, et al., The critical growth rate for particle incorporation during the directional solidification of solar silicon under microgravity, International Journal of Microgravity Science and Application 34, 340115 (2017).

Tina Sorgenfrei, et al., Growth of Ga-Doped Ge Crystals under µg and 1 G to Investigate the Influence of Different Convection Types, International Journal of Microgravity Science and Application 34, 340116 (2017).

Christian Jandl, et al., Rational Synthesis and Electronic Structure of Functionalized Trinuclear Pd Metal Sheet Sandwich Complexes, Organometallics 36, 2772-2783 (2017).

Christian Jandl, et al., The Ambivalent Nature of Halogenated Tropone Derivatives: Dihalocycloheptatriene vs. Halotropylium Halide, European Journal of Organic Chemistry 29, 4255-4259 (2017).

Christian Jandl, et al., A Pd Halide Cluster from 1964: Pd6Cl8 Capped by Ring-Opened C3Ph3 Ligands from Oxidative Addition of Cyclopropenium Ions, Organometallics 36, 4348-4350 (2017).

Christian Jandl, et al., A halide-free pyridinium-substituted η3-cycloheptatrienide-Pd complex, Acta Crystallographica C 73, 754-759 (2017).

Christian Jandl, et al., Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion, Acta Crystallographica C 73, 810-813 (2017).

Christian Jandl, et al., Dimerization of a mixed-carbene PdII dibromide complex by elemental iodine, Acta Crystallographica C 73, 1131-1136 (2017).

Christian Jandl, et al., A hybrid carbocyclic/N-heterocyclic carbene ligand , Chemical Communications 53, 2098-2101 (2017).

Claudia Wandtke, et al., Using invariom modelling to distinguish correct and incorrect central atoms in `duplicate structures‘ with neighbouring 3d elements, Acta Crystallographica B 73, 794-804 (2017).

Dmitry Semchonok, et al., Interaction between the photoprotective protein LHCSR3 and C2S2 Photosystem II supercomplex in Chlamydomonas reinhardtii, Biochimica et Biophysica Acta (BBA) – Bioenergetics 1858, 379-385 (2017).

Sven O. Dahms, et al., Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor, ACS Chemical Biology 12, 1211-1216 (2017).

Jessica Hilbert, et al., Studies of the Reactivity of {[Ni(tren)]2[Sn2S6]}n: Synthesis and Crystal Structures of two New Thiostannates Prepared at Room Temperature Mode Towards the Charge Compensating Ni(II) Complex, Inorg. Chim. Acta. 459, 29-35 (2017).

Jessica Hilbert, et al., {[Ni(1,2-dach)2(ma)]4[Sn10S20O4]} An Example of the Tin-Oxo-Sulfide Cluster with Uncommon Connection Mode Towards the Charge Compensating Ni(II) Complex, Curr. Inorg. Chem. 6, 181-186 (2017).

Sebastian Mangelsen, et al., Large nonsaturating magnetoresistance and pressure-induced phase transition in the layered semimetal HfTe2, Phys. Rev. B 96, 205148 (2017).

Matthias Regus, et al., Experimental and theoretical investigation of the chromium-vanadium-antimony system, Zeitschrift für Kristallographie 232, 236-244 (2017).

Dejan Premužić?, et al., Structure and properties of a new rigid tripodal oxime ligand, Journal of Molecular Structure 1136, 100-106 (2017).

Philipp Altmann, et al., A pH-Dependent, Mechanically Interlocked Switch: Organometallic [2]Rotaxane vs. Organic [3]Rotaxane, Angew. Chem., Int. Ed. 129, 15939-15942 (2017).

Philipp Altmann, et al., A hybrid Imidazolylidene/Imidazolium Nickel NHC Complex – An isolated Intermediate, Acta Cryst C 73, 880-884 (2017).

Frank Tambornino, et al., The simplest representative of a complex series: the Hg-rich amalgam Yb11Hg54, Zeitschrift für Kristallographie – Crystalline Materials 232, 557-565 (2017).

Martina Maritan, et al., Crystal structures of human Fabs targeting the Bexsero meningococcal vaccine antigen NHBA, Acta Crystallographica F 73, 305-314 (2017).

SK Imran Ali, et al., Hydrothermal Synthesis of the Oxofluoride FeSbO2F2—An Anti-ferromagnetic Spin S = 5/2 Compound, Inorganic Chemistry 56, 4662-4667 (2017).

SK Imran Ali, et al., Zn3Sb4O6F6: Hydrothermal synthesis, crystal structure and nonlinear optical properties, Journal of Solid State Chemistry 256, 158-161 (2017).

Bärbel Blaum, et al., The lectin self of complement factor H, Current Opinion in Structural Biology 44, 111-118 (2017).

Martin Rudolph, et al., Specific surface free energy component distributions and flotabilities of mineral microparticles in flotationg—An inverse gas chromatography study, Colloids and Surfaces A: Physicochemical and Engineering Aspects 513, 380-388 (2017).

Hassan Osseili, et al., Ligand Influence on Carbonyl Hydroboration Catalysis by Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M=Li, Na, K), Chemistry – A European Journal 23, 14292-14298 (2017).

Hassan Osseili, et al., Me6TREN-Supported Alkali Metal Hydridotriphenylborates [(L)M][HBPh3] (M = Li, Na, K): Synthesis, Structure, and Reactivity, Organometallics 36, 3029-3034 (2017).

Hassan Osseili, et al., Mononuclear Alkali Metal Organoperoxides Stabilized by an NNNN-Macrocycle and Short Hydrogen Bonds from ROOH Molecules, Chemistry – A European Journal 23, 17213-17216 (2017).

Joachim Breternitz, et al., Facile Bulk Synthesis of π-Cubic SnS, Inorganic Chemistry 56, 11455-11457 (2017).

Adrien Girard, et al., Mechanisms of resonant low frequency Raman scattering from metallic nanoparticle Lamb modes, The Journal of Chemical Physics 146, 194201 (2017).

Adrien Girard, et al., Environmental effects on the natural vibrations of nanoplatelets: a high pressure study, Nanoscale 9, 6551-6557 (2017).

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