A5083509979- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Crystal Structures and Properties
- Inorganic Chemistry and Materials
- Inorganic Fluorides and Related Compounds
- Synthesis and characterization of novel inorganic/organometallic compounds
- Social and Demographic Issues in Germany
- Organometallic Compounds Synthesis and Characterization
- Organometallic Complex Synthesis and Catalysis
- Nanocluster Synthesis and Applications
- Solid-state spectroscopy and crystallography
- Health and Medical Studies
- Iron-based superconductors research
- Social Policies and Healthcare Reform
- Fluorine in Organic Chemistry
- Coordination Chemistry and Organometallics
- Metal-Organic Frameworks: Synthesis and Applications
- Ionic liquids properties and applications
- Chalcogenide Semiconductor Thin Films
- Public Administration and Political Analysis
- Crystal structures of chemical compounds
- German Literature and Culture Studies
- Asymmetric Hydrogenation and Catalysis
- Polyoxometalates: Synthesis and Applications
Freie Universität Berlin
2018-2025
University of Freiburg
1987-2025
Philipps University of Marburg
2012-2019
University of California, Berkeley
2016-2017
University of California System
2016
Berkeley College
2016
Bose Institute
1998
Max Planck Institute for Solid State Research
1995
Abstract Metal–organic frameworks are known to contain defects within their crystalline structures. Successful engineering of these can lead modifications in material properties that potentially improve the performance many existing frameworks. Herein, we report high-throughput computational screening a large experimental metal–organic framework database identify 13 show significantly improved methane storage capacities with linker vacancy defects. The candidates first identified by focusing...
Syntheses of [K([2.2.2]crypt)]+ salts binary Pb–Bi Zintl anions and their reaction with ZnPh2 or Ni(cod)2, yielding ternary intermetalloid Ni–Pb–Bi Zn–Pb–Bi clusters, proved the use precursors fully isoelectronic atoms as an efficient thus valuable synthetic approach to this class clusters. 207Pb NMR ESI mass spectra provided insight into solution behavior cages.
The electronic structure of high-quality van der Waals multiferroic CuCrP2S6 crystals was investigated by applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray and near-edge absorption fine (NEXAFS) at the Cu L2,3 Cr edges, we determine charge states ions studied compound. Analyzing systematic NEXAFS resonant data Cu/Cr edges allowed us to assign material a Mott–Hubbard type insulator identify different Auger-decay channels (participator vs spectator)...
Pyrrolidinium‐based cations were systematically modified to investigate their influence on ozonide and superoxide anions understand the scattering of experimentally determined dimensions these radical anions. Hence, 1‐ethyl‐1‐methyl‐pyrrolidinium, 1‐propyl‐1‐methyl‐pyrrolidinium 1‐butyl‐1‐methyl‐pyrrolidinium superoxide, as well 1‐methyl‐1‐methyl‐pyrrolidinium have been synthesized via ion exchange in liquid ammonia, characterized by single crystal X‐ray diffraction. Attempts crystallize...
The photolytically induced arene displacement of [Fe(C5H5)(oDCB)][PF6] (oDCB = ortho-dichlorobenzene) in the presence [NEt4][C5(CF3)5] afforded highly fluorinated and benchstable ferrocene [Fe(C5H5)(C5(CF3)5)]. perfluorinated Cp* ligand exerts an extreme electron withdrawing effect on with Epa up to 1.70 V (vs. Fc/Fc+). This proved be highest value obtained for any reported so far. corresponding stable storable ferrocenium complex [Fe(C5H5)(C5(CF3)5)][AsF6] was generated quantitative yield...
Abstract K 2 S, cubic, <m:math xmlns:m="http://www.w3.org/1998/Math/MathML" overflow="scroll"> <m:mrow> <m:mi>F</m:mi> <m:mi>m</m:mi> <m:mover accent="true"> <m:mn>3</m:mn> <m:mo>‾</m:mo> </m:mover> </m:mrow> </m:math> $Fm\overline{3}m$ (no. 225), a = 7.3642(5) Å, V 399.37(8) Å 3 , Z 4, R int 0.0348, gt ( F ) 0.0137 wR ref 0.0379, GooF 1.037, T 100(1) K.
The complexation ability of hybrid disilane and ethylene containing crown ether ring systems was analyzed using 1,2-disila[12]crown-4 (1), 1,2-disila[15]crown-5 (2), 1,2-disila[18]crown-6 (3), 1,2,7,8-tetrasila[12]crown-4 (7). Alkali-metal complexes (Li+, Na+, K+) were obtained via X-ray diffraction. complex stability [Li(1,2-disila[12]crown-4)]+ [Li(1,2,7,8-tetrasila[12]crown-4)]+ determined, in relation to the lithium [12]crown-4, by density functional theory (DFT) calculations employing...
The first hybrid crown ether with two adjacent disilane fragments was synthesized through reaction of O(Si2Me4Cl)2 (3) O(C2H4OH)2. By means DFT calculations, the complexation ability 1,2,4,5-tetrasila[12]crown-4 (7) towards Li+ determined to be considerably higher compared [12]crown-4.
We present an accessible implementation of augmented reality projections for the depiction complex structures and motifs, including atomic orbitals elemental allotropes. The utilization a free, cross-platform-compatible, online database these provides access route closer examination, either via or interface. Both will facilitate enhanced understanding can be applied in taught courses as well during self-study students.
Reactions of [K(18-crown-6)]2 [Pb2 Se3 ] and [K([2.2.2]crypt)]2 with [Rh(PPh3 )3 Cl] in en (ethane-1,2-diamine) afforded ionic compounds [Rh3 (PPh3 )6 (μ3 -Se)2 ](-) (CN)2 )4 (μ-PbSe)](3-) anions, respectively. The latter contains a PbSe ligand, rather uncommon homologue CO that acts as μ-bridge between two Rh atoms. Quantum chemical calculations yield significantly higher bond energy for than CO, since the size ligand orbitals better matches comparably rigid Rh-Se-Rh angles resulting...
Abstract The first inorganic lead(IV) compound without oxygen, nitrogen or halogen ligands attached to the lead atom was obtained as potassium salt of tetraselenidoplumbate(IV) anion [Pb IV Se 4 ] 4− . It is stable under inert conditions which may enable transfer chemistry chalcogenidogermanate(IV) chalcogenidostannate(IV) materials, homologues.
Two crystalline beryllium carboxylates, Be2(OH)2(bdc) (BCF-3) and Be4(OH)4(btec) (BCF-4), have been prepared under hydrothermal conditions. BCF-3 has a novel zeolitic topology containing 3-ring 14-ring windows. BCF-4 porous framework with CO2 uptake capacity of 48.2 cm3 g−1 (298 K, 760 Torr).
A new chloronium-containing salt, [Me2 Cl][Al(OTeF5 )4 ], was synthesized on multigram scale by means of a simple one-pot procedure. The isolated product can be handled at room temperature and used as strong electrophilic methylation agent. This is demonstrated the very weak bases P(CF3 )3 , PF3 MeI, MeBr.
K2Hg2Se3, a new photoconducting material with direct band gap around 1.4 eV, was obtained in nearly quantitative yields and large scale (50 g per batch) by means of solvothermal treatment corresponding solid. The compound comprises covalently linked selenidomercurate columns that accommodate potassium counterions. Composition structure allow for specific combination optoelectronic, photophysical, thermoelectric properties, which initiates systematic development within this family compounds.
Two salts with one-dimensional, SiS2-type telluridostannate chain anions {[MSnTe4]2–}n, Rb2[HgSnTe4] (2) and (NMe4)2[MnSnTe4] (3), were prepared by the reactions of [SnTe]4– Hg2+ or Mn2+ ions in solution. We present crystal structures 2 3, as well magnetic properties previously reported Cs+ analogue Cs2[MnSnTe4] (1).
Abstract Based on the synthesis and characterization of a series new (poly‐)selenide salts, classification anionic (poly‐)selenide‐containing compounds is proposed. The were categorized according to these classes. Synthetic approaches organic cation‐stabilized that have been already known from literature are reviewed, along with crystal structures some spectroscopic data, an experimental theoretical approach towards dichroism observed in triselenides.
Abstract Aus Reaktionen von [K(18‐Krone‐6)] 2 [Pb Se 3 ] oder [K([2.2.2]crypt)] mit [Rh(PPh ) Cl] in en (Ethan‐1,2‐diamin) gingen ionische Verbindungen den Anionen [Rh (PPh 6 (μ ‐Se) − bzw. (CN) 4 (μ‐PbSe)] 3− hervor. Letzteres enthält einen PbSe‐Liganden, ein sehr ungewöhnliches Homolog CO, das als μ‐Brückenligand zwischen zwei Rh‐Atomen fungiert. Quantenchemische Rechnungen zeigen eine deutlich größere Bindungsenergie für PbSe was auf die besser passende Größe der Ligandenorbitale, recht...
[(RhPPh3)6(μ3-Se)8]·0.5en (1; en = ethane-1,2-diamine), obtained by the reaction of [Pb2Se3](2-) anions with [Rh(PPh3)3Cl] in en, represents first compound comprising a molecular [Rh6] octahedron all faces capped Se atoms. Analogous treatment [Pb2Te3](2-) [Pd(PPh3)2Cl2] yielded [Li4(en)10][Pd6(μ3-Te)8] (2), exhibiting molecular, chalcogen-capped [Pd6] aggregate. Besides syntheses and structures title compounds, we report quantum-chemical calculations to understand electronic properties these...
Two literature-known sulfido vanadates, Na3[VS4] and K3[VS4], were obtained through a straightforward scalable synthetic method. Highly crystalline powders of both compounds from the homogeneous molten phases starting materials via a─comparably rapid─solid-state technique. Low-temperature structure determination, ambient temperature powder diffraction, solid-state NMR spectroscopy verify previous structural reports indicate purity samples. Both show semiconductivity with optical band gap...
Abstract Die erste anorganische Pb IV ‐Verbindung ohne Sauerstoff‐, Stickstoff‐ oder Halogen‐Liganden am Bleiatom, das Kaliumsalz des Tetraselenidoplumbat(IV)‐Anions (K 4 [PbSe ]⋅en⋅NH 3 ), wurde synthetisiert und eindeutig charakterisiert. Verbindung ist unter Inertbedingungen stabil, was den Grundstein für Transfer der Chemie von Chalkogenidogermanat(IV)‐ Chalkogenidostannat(IV)‐Materialien auf die Blei‐Homologen legen könnte.
We introduce Na2[Fe3S4], comprising anionic layers, synthesized by a simple and straightforward solid-state method based on the fusion of binary sulfides abundant sodium iron. The structure crystallizes in trigonal lattice with honeycomb cavities, as well 25% statistical iron vacancies crystal structure. compound depicts high dielectric constants from 998 to 1850 at frequency 1 kHz depending sintering temperature, comparable benchmark materials. According complex electrochemical impedance...
Abstract Reduction of chalcogen‐rich Pb:Ch (1:2) phases in ethane‐1,2‐diamine ( en ) by elemental alkali metals results the formation solutions [Pb 2 Ch 3 ] 2– high purity and abundance. In contrast, application same reaction conditions to a binary Bi:Te phase yields mononuclear [BiTe 3– anion. Instead expected [Tl Te 4– or anions, analogous reactions with Tl:Te (1:1) end up C–C‐bond cleavage solvent salt telluridocyanate (N≡C–Te) – Side cesium are presented metalate investigated NMR spectroscopy.
Abstract Solvothermal reactions and in situ reductions nitriles yield a variety of new metal complexes organometallic compounds including ligands dimers, trimers, tetramers the organic solvent upon (oxidative) C–C and/or C–N bond formation destruction.