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Single Crystal Diffractometer with Cu/Mo Microsource

English title Single Crystal Diffractometer with Cu/Mo Microsource
Applicant Grützmacher Hansjörg
Number 139173
Funding scheme R'EQUIP
Research institution Laboratorium für Anorganische Chemie Departement für Chemie und Angewandte Biowis ETH Zürich
Institution of higher education ETH Zurich - ETHZ
Main discipline Organic Chemistry
Start/End 01.12.2011 - 30.11.2012
Approved amount 250'000.00
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All Disciplines (2)

Discipline
Organic Chemistry
Inorganic Chemistry

Keywords (5)

X-ray Diffraction; Structure analysis; Battery materials; Organometallic Complexes; Catalysis

Lay Summary (English)

Lead
Lay summary
X-ray diffraction studies represent a very important central tool to successfully pursue research at the LAC. About 40 master and PhD students as well as 10 post-doctoral fellows use X-ray diffraction data on a daily basis and many of them have direct access to the X-ray machines. The new single crystal diffractometer with a dual source will allow us to collect successfully data from crystals which could not be investigated at the LAC to date. During our work we encounter a large variety of different problems concerning the characterization of our crystalline products with X-ray diffraction methods. Our compounds often contain heavy elements, leading to fairly strong absorption effects. Here we need a radiation with small wavelength (Mo-radiation). Some of our samples are composed from light atoms exclusively with very low absorption and therefore only weak interaction with the X-ray beam. Here Cu-radiation is the best choice to get good quality data with reasonable exposure times.
In addition we frequently encounter the problem that the compounds we wish to investigate in detail crystallize as very small crystals, by far unsuitable for data collection on our standard diffractometers equipped with a conventional Mo-X-ray tube. To collect data sets of these small crystals in-house, Cu-radiation is essential.
The new diffractometer shall be equipped with two sources (Mo and Cu) allowing to switch between both radiations within minutes. This will permit us to choose instantly the wavelength most suitable for our problem. The new diffractometer shall be equipped with either micro-sources for both radiations with a narrow but extremely intense beam (ideal for small crystals) and/or a multilayer-optics or a special focusing monochromator which enhances the intensity by at least a factor of 3.
The increased capacity of measuring time will allow accommodating conveniently all users including the ones of the new research groups at the LAC (Copéret and Kovalenko) and especially giving the freedom to train bachelor and master students at the cutting edge of inorganic structure research. The new software and new refinement tools will allow solving routine structures automatically which is an important and very valuable improvement in the time management for the students.
Direct link to Lay Summary Last update: 21.02.2013

Responsible applicant and co-applicants

Publications

Publication
Photochemical Single-Crystal-to-Single-Crystal (SCSC) Reactions of Anthraphane to Dianthraphane and Poly(1D)aenthraphane
Servalli Marco, Solar Michael, Trapp Nils, Worle Michael, Schluter A. Dieter (2017), Photochemical Single-Crystal-to-Single-Crystal (SCSC) Reactions of Anthraphane to Dianthraphane and Poly(1D)aenthraphane, in CRYSTAL GROWTH & DESIGN, 17(12), 6510-6522.
Short Naphthalene Organophosphonate Linkers to Microporous Frameworks
Bulut Aysun, Zorlu Yunus, Wörle Michael, Cetinkaya Ahmet, Kurt Hüseyin, Tam Benjamin, Yazaydin Oezgür, Beckmann Jens, Yücesan Gündog (2017), Short Naphthalene Organophosphonate Linkers to Microporous Frameworks, in Chemistryselect, 2, 7050-7053.
Short Naphthalene Organophosphonate Linkers to Microporous Frameworks
Bulut Aysun, Zorlu Yunus, Worle Michael, Cetinkaya Ahmet, Kurt Huseyin, Tam Benjamin, Yazaydin A. Ozgur, Beckmann Jens, Yuecesan Guendog (2017), Short Naphthalene Organophosphonate Linkers to Microporous Frameworks, in CHEMISTRYSELECT, 2(24), 7050-7053.
A potential Cu/V-organophosphonate platform for tailored void spaces via terpyridine mold casting
Bulut Aysun, Worle Michael, Zorlu Yunus, Kirpi Erdogan, Kurt Huseyin, Zubieta Jon, Grabowsky Simon, Beckmann Jens, Yucesan Gundog (2017), A potential Cu/V-organophosphonate platform for tailored void spaces via terpyridine mold casting, in ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 73, 296-303.
Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties
Guntlin Christoph P., Zund Tanja, Kravchyk Kostiantyn V., Worle Michael, Bodnarchuk Maryna I., Kovalenko Maksym V. (2017), Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties, in JOURNAL OF MATERIALS CHEMISTRY A, 5(16), 7383-7393.
Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(NA)-ion storage properties
Guntlin Christoph P., Zünd Tanja, Kravchyk Kostiantyn V., Wörle Michael, Bodnarchuk Maryna, Kovalenko Maksym V. (2017), Nanocrystalline FeF3 and MF2 (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(NA)-ion storage properties, in Journal of Materials Chemistry, 5, 7383-7393.
Small Molecule Crystallography in the Laboratory of Organic Chemistry at ETH Zurich
Diederich Francois, Trapp Nils, Worle Michael (2017), Small Molecule Crystallography in the Laboratory of Organic Chemistry at ETH Zurich, in ISRAEL JOURNAL OF CHEMISTRY, 57(1-2), 39-54.
Enantiopure Alleno-Acetylenic Helicages Containing Multiple Binding Sites
Gidron Ori, Jirasek Michael, Worle Michael, Diederich Francois (2016), Enantiopure Alleno-Acetylenic Helicages Containing Multiple Binding Sites, in CHEMISTRY-A EUROPEAN JOURNAL, 22(45), 16172-16177.
From 0 to II in One-Electron Steps: A Series of Ruthenium Complexes Supported by TropPPh(2)
Yang Xiuxiu, Gianetti Thomas L., Harbort Joshua, Worle Michael D., Tan Lilin, Su Cheng-Yong, Jurt Pascal, Harmer Jeffrey R., Grutzmacher Hansjorg (2016), From 0 to II in One-Electron Steps: A Series of Ruthenium Complexes Supported by TropPPh(2), in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55(39), 11999-12002.
Rational Design of Two-Dimensional Bimetallic Wave Structures from Zigzag Chains via Site-Specific Coordination around the 2,6-Naphthalenediphosphonic Acid Motif
Bulut Aysun, Zorlu Yunus, Worle Michael, Pasa Salih, Kurt Huseyin, Zubieta Jon, Beckmann Jens, Yucesan Gundog (2016), Rational Design of Two-Dimensional Bimetallic Wave Structures from Zigzag Chains via Site-Specific Coordination around the 2,6-Naphthalenediphosphonic Acid Motif, in EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, (21), 3506-3512.
Small Molecule Crystallography in the Laboratory of Organic Chemistry at ETH Zürich
Diederich François, Trapp Nils, Wörle Michael (2016), Small Molecule Crystallography in the Laboratory of Organic Chemistry at ETH Zürich, in Israel Journal of Chemistry, 57, 39-54.
Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces
Bulut Aysun, Zorlu Yunus, Kirpi Erdogan, Cetinkaya Ahmet, Worle Michael, Beckmann Jens, Yucesan Gundog (2015), Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces, in CRYSTAL GROWTH & DESIGN, 15(12), 5665-5669.
Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions
Bezuidenhout Daniela I., van der Westhuizen Belinda, Rosenthal Amos J., Woerle Michael, Liles David C., Fernandez Israel (2014), Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions, in DALTON TRANSACTIONS, 43(2), 398-401.
Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction
Kory Max J., Woerle Michael, Weber Thomas, Payamyar Payam, van de Poll Stan W., Dshemuchadse Julia, Trapp Nils, Schlueter A. Dieter (2014), Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction, in NATURE CHEMISTRY, 6(9), 779-784.
Monodisperse Colloidal Gallium Nanoparticles: Synthesis, Low Temperature Crystallization, Surface Plasmon Resonance and Li-Ion Storage
Yarema Maksym, Woerle Michael, Rossell Marta D., Erni Rolf, Caputo Riccarda, Protesescu Loredana, Kravchyk Kostiantyn V., Dirin Dmitry N., Lienau Karla, von Rohr Fabian, Schilling Andreas, Nachtegaal Maarten, Kovalenko Maksym V. (2014), Monodisperse Colloidal Gallium Nanoparticles: Synthesis, Low Temperature Crystallization, Surface Plasmon Resonance and Li-Ion Storage, in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 136(35), 12422-12430.
Characterization of LiBC by phase-contrast scanning transmission electron microscopy
Krumeich Frank, Woerle Michael, Reibisch Philipp, Nesper Reinhard (2014), Characterization of LiBC by phase-contrast scanning transmission electron microscopy, in MICRON, 63, 64-68.
Superconductivity and correlated Fermi liquid behavior in noncentrosymmetric Ca3Ir4Ge4
von Rohr Fabian, Luo Huixia, Ni Ni, Woerle Michael, Cava Robert J. (2014), Superconductivity and correlated Fermi liquid behavior in noncentrosymmetric Ca3Ir4Ge4, in PHYSICAL REVIEW B, 89(22), 224504.
Microstructure of a Ce0.1Zr0.9O2-MgAl2O4 Ceramic Matrix Composite for Use in Dentistry
Krumeich Frank, Woerle Micheal, Nesper Reinhard, Hoeland Marlies, Ritzberger Christian, Rothbrust Frank, Chevalier Jerome, Rheinberger Volker M., Hoeland Wolfram (2014), Microstructure of a Ce0.1Zr0.9O2-MgAl2O4 Ceramic Matrix Composite for Use in Dentistry, in JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 97(5), 1602-1609.
Phase and microstructure formation and their influence on the strength of two types of glass-ceramics
Dittmer M., Ritzberger C., Schweiger M., Rheinberger V., Woerle M., Hoeland W. (2014), Phase and microstructure formation and their influence on the strength of two types of glass-ceramics, in JOURNAL OF NON-CRYSTALLINE SOLIDS, 384, 55-60.
Narrowly dispersed silica supported osmium nanoparticles prepared by an organometallic approach: H-2 and CO adsorption stoichiometry and hydrogenolysis catalytic activity
Low Jia En, Foelske-Schmitz Annette, Krumeich Frank, Woerle Michael, Baudouin David, Rascon Fernando, Coperet Christophe (2013), Narrowly dispersed silica supported osmium nanoparticles prepared by an organometallic approach: H-2 and CO adsorption stoichiometry and hydrogenolysis catalytic activity, in DALTON TRANSACTIONS, 42(35), 12620-12625.
Crystal and Electronic Structure of the Lithium-Rich Silver Silicide Li12Ag1-xSi4 (x=0.15)
Slabon Adam, Budnyk Serhiy, Cuervo-Reyes Eduardo, Woerle Michael, Verel Rene, Nesper Reinhard (2013), Crystal and Electronic Structure of the Lithium-Rich Silver Silicide Li12Ag1-xSi4 (x=0.15), in CHEMISTRY-A EUROPEAN JOURNAL, 19(49), 16528-16531.
A Lithium-Rich Compound Li7Mn(BO3)(3) Containing Mn2+ in Tetrahedral Coordination: A Cathode Candidate for Lithium-Ion Batteries
Afyon Semih, Woerle Michael, Nesper Reinhard (2013), A Lithium-Rich Compound Li7Mn(BO3)(3) Containing Mn2+ in Tetrahedral Coordination: A Cathode Candidate for Lithium-Ion Batteries, in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 52(48), 12541-12544.
TiGePt - a study of Friedel differences
Ackerbauer Sarah-Virginia, Borrmann Horst, Buergi Hans-Beat, Flack Howard D., Grin Yuri, Linden Anthony, Palatinus Lukas, Schweizer W. Bernd, Warshamanage Rangana, Woerle Michael (2013), TiGePt - a study of Friedel differences, in ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 69, 457-464.
Merohedral twin interpretation spreadsheet, including command lines for SHELXL
Flack Howard D., Woerle Michael (2013), Merohedral twin interpretation spreadsheet, including command lines for SHELXL, in JOURNAL OF APPLIED CRYSTALLOGRAPHY, 46, 248-251.
Copper Silicides with the Highest Lithium Content: Li7CuSi2 Containing the 16-Electron Group [CuSi2]7-and Li7.3CuSi3 with Heterographene Nets ${{{\hfill 2\atop \hfill \infty }}}$[CuSi]3.3-
Slabon Adam, Budnyk Serhiy, Cuervo-Reyes Eduardo, Woerle Michael, Mensing Christian, Nesper Reinhard (2012), Copper Silicides with the Highest Lithium Content: Li7CuSi2 Containing the 16-Electron Group [CuSi2]7-and Li7.3CuSi3 with Heterographene Nets ${{{\hfill 2\atop \hfill \infty }}}$[CuSi]3.3-, in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 51(46), 11594-11596.
Crystal structure of calciumpermanganate tetrahydrate, Ca(MnO4)(2)center dot 4H(2)O, CaH8Mn2O12
Waechter Florian, Woerle Michael, Budnyk Serhiy, Nesper Reinhard (2012), Crystal structure of calciumpermanganate tetrahydrate, Ca(MnO4)(2)center dot 4H(2)O, CaH8Mn2O12, in ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 227(4), 431-432.
Synthesis, Crystal, and Electronic Structure of the New Ternary Zintl Phase Eu(2-x)Mg(2-y)Ge3 (x=0.1; y=0.5)
Slabon Adam, Cuervo-Reyes Eduardo, Kubata Christof, Woerle Michael, Mensing Christian, Nesper Reinhard (2012), Synthesis, Crystal, and Electronic Structure of the New Ternary Zintl Phase Eu(2-x)Mg(2-y)Ge3 (x=0.1; y=0.5), in ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 638(10), 1417-1423.
Niobium(V) Oxynitride: Synthesis, Characterization, and Feasibility as Anode Material for Rechargeable Lithium-Ion Batteries
Wang Xiao-Jun, Krumeich Frank, Woerle Michael, Nesper Reinhard, Jantsky Laurent, Fjellvag Helmer (2012), Niobium(V) Oxynitride: Synthesis, Characterization, and Feasibility as Anode Material for Rechargeable Lithium-Ion Batteries, in CHEMISTRY-A EUROPEAN JOURNAL, 18(19), 5970-5978.
A Homogeneous Transition Metal Complex for the Clean Hydrogen Production from Methanol / Water Mixtures
Grützmacher Hansjörg, A Homogeneous Transition Metal Complex for the Clean Hydrogen Production from Methanol / Water Mixtures, in Nature Chemistry.
Synthesis and Characterization of Terminal [Re(XCO)(CO)2(triphos)] (X=N, P): Isocyanate versus Phosphaethynolate Complexes
Grützmacher Hansjörg, Synthesis and Characterization of Terminal [Re(XCO)(CO)2(triphos)] (X=N, P): Isocyanate versus Phosphaethynolate Complexes, in Chem. Eur. Journal, 18, 14805-14811.

Collaboration

Group / person Country
Types of collaboration
Uni Augsburg Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results

Associated projects

Number Title Start Funding scheme
130473 Complexes of First-Row Transition Metals in Asymmetric Catalysis 01.04.2010 Project funding
126855 Graphitoxide und Graphen für die elektrochemische Energiespeicherung 01.01.2010 Project funding
117607 Advanced materials for efficient portable energy supplies 01.10.2007 Project funding
119848 Exploring d6 and d8 Complexes with Chiral Ligands of Unusual Denticity as Enantioselective Catalysts 01.04.2008 Project funding
130509 Smart carbon-based materials for hydrogen storage 01.04.2010 Sinergia
109206 Ruthenium Complexes with Chiral Ligands of Unusual Denticity as Enantioselective Lewis Acid Catalysts 01.10.2005 Project funding
126711 Unconventional Approaches to the Activation of Dihydrogen (FOR 1175) (D-A-CH/LAE) 01.02.2010 Project funding (special)
122193 Synthesis of bis(acyl)phosphaneoxides (BAPO's) for polymer and surface modifications under very mild conditions 01.10.2008 Project funding
121897 New Reagents, New Catalysts and New Reactions for Asymmetric Synthesis 01.10.2008 Project funding
113322 New Reactions and New Ligands for Asymmetric Catalysis 01.10.2006 Project funding
124540 TROPP Transition Metal Complexes IV 01.04.2009 Project funding

Abstract

X-ray diffraction studies represent a very important central tool to successfully pursue research at the LAC. About 40 master and PhD students as well as 10 post-doctoral fellows use X-ray diffraction data on a daily basis and many of them have direct access to the X-ray machines. The new single crystal diffractometer with a dual source will allow us to collect successfully data from crystals which could not be investigated at the LAC to date. During our work we encounter a large variety of different problems concerning the characterization of our crystalline products with X-ray diffraction methods. Our compounds often contain heavy elements, leading to fairly strong absorption effects. Here we need a radiation with small wavelength (Mo-radiation). Some of our samples are composed from light atoms exclusively with very low absorption and therefore only weak interaction with the X-ray beam. Here Cu-radiation is the best choice to get good quality data with reasonable exposure times.In addition we frequently encounter the problem that the compounds we wish to investigate in detail crystallize as very small crystals, by far unsuitable for data collection on our standard diffractometers equipped with a conventional Mo-X-ray tube. To collect data sets of these small crystals in-house, Cu-radiation is essential. The new diffractometer shall be equipped with two sources (Mo and Cu) allowing to switch between both radiations within minutes. This will permit us to choose instantly the wavelength most suitable for our problem. The new diffractometer shall be equipped with either micro-sources for both radiations with a narrow but extremely intense beam (ideal for small crystals) and/or a multilayer-optics or a special focusing monochromator which enhances the intensity by at least a factor of 3. The increased capacity of measuring time will allow accommodating conveniently all users including the ones of the new research groups at the LAC (Copéret and Kovalenko) and especially giving the freedom to train bachelor and master students at the cutting edge of inorganic structure research. The new software and new refinement tools will allow solving routine structures automatically which is an important and very valuable improvement in the time management for the students.
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