A5045837890- Inorganic Chemistry and Materials
- MXene and MAX Phase Materials
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Synthesis and characterization of novel inorganic/organometallic compounds
- Organometallic Complex Synthesis and Catalysis
- Ammonia Synthesis and Nitrogen Reduction
- Boron and Carbon Nanomaterials Research
- Inorganic Fluorides and Related Compounds
- Crystal structures of chemical compounds
- Crystal Structures and Properties
- Luminescence Properties of Advanced Materials
- Rare-earth and actinide compounds
- Metal and Thin Film Mechanics
- Crystallography and molecular interactions
- Organoboron and organosilicon chemistry
- Magnetism in coordination complexes
- Nuclear materials and radiation effects
- Machine Learning in Materials Science
- Chemical Synthesis and Characterization
- Organic and Molecular Conductors Research
- Hydrogen Storage and Materials
- Metal-Organic Frameworks: Synthesis and Applications
- Solid-state spectroscopy and crystallography
- Coordination Chemistry and Organometallics
University of Stuttgart
2016-2025
University of Münster
2017-2024
Hermann Staudinger Gymnasium
2024
Cornell University
2011-2020
RWTH Aachen University
2008-2018
Max Planck Institute for Solid State Research
2002-2015
Université de Rennes
2008
École Nationale Supérieure de Chimie de Rennes
2008
Institut des Sciences Chimiques de Rennes
2008
Centre National de la Recherche Scientifique
2008
Synthetic strategies guided by quantum chemistry eventually leading to inorganic nitridocarbonates containing the NCN2– complex carbodiimide anion are presented, showing power of rational approaches in obtaining chemically tailored carbodiimides with exciting materials properties. In addition, we showcase various exemplary compounds and their attributes either [N═C═N]2– or cyanamide [N≡C–N]2– anion. Infrared, Raman, NMR, Mößbauer other spectroscopies, addition density-functional theory,...
The mixed‐anionic barium compound Ba7O[C2][AlO4]2 was obtained by serendipity via a high‐temperature synthesis route designed to yield "Ba5[AlC2]2". Its new crystal structure determined from X‐ray diffraction data of selected single crystals exhibiting the orthorhombic space group Pnma with lattice parameters = 2264.21(16) pm, b 597.08(4) pm and c 1114.67(8) for Z 4. Isolated [AlO4]5– tetrahedra alongside O2– [C2]2– anions provide appropriate coordination spheres seven crystallographically...
Binary and ternary alkaline earth metal nitrides compounds have been synthesized characterized by the means of X-ray structure analysis. By reaction metals Be, Mg, Ca with dry nitrogen, we obtained crystalline material Be3N2 (1), Mg3N2 (2), Ca3N2 (3), respectively. For these three could confirm cubic anti bixbyite (Ia3 (#206); 1: a = 814.92(1) pm; 2: 997.26(6) pm 3: 1147.86(2) pm). reacting 1 : 2 mixtures Ae (Ae Ca, Sr) Mg NaN3 CaMg2N2 (4) SrMg2N2 (5). We confirmed structural data...
Abstract The crystal structures of LiN 3* H 2 O (P63/mcm (No. 193), Z = 6; 924.01(13); 560.06(7) pm); NH 4 N 3 (Pmna 53), =4; a=889.78(18), b=380,67(8), c=867.35(17) Ca(N ) (Fddd 70), 8; a=595.4(2), b=1103.6(5), c=1133.1(6) pm), Sr(N =8; a= 612.02(9), b 1154.60(18), c 1182.62(15) Ba(N (P2 1 /m 11), 2; a 544.8(1), 439.9(1), 961.3(2) pm, β 99.64(3)°) and TlN (I4/mcm 140), 618.96(9); 732.71(15) pm) have been either determined for the first time or redetermined by X-ray diffraction on single...
Abstract Red‐orange, transparent single crystals of EuCN 2 ( Pnma (62), a = 1232.41(9), b 395.26(3) and c 539.43(4) pm, Z 4) are obtained by the reaction EuN, C NaN 3 in arc‐welded Ta ampoules at 1300 K. The first ternary rare earth metal cyanamide is isotypic to α‐SrCN shows characteristic frequencies for CN 2— unit optical spectra (ν s 1244; ν as 1969 2087; δ 655 / 666 cm —1 ).
Abstract α-Be 3 N 2 powder was obtained by reacting Be metal with dry, flowing at 1600 K. The product contained 5.9(7) wt.% of BeO. anti-bixbyite structure suggested earlier verified through Rietveld refinement on the basis X-ray data (Ia3 (#206); a = 814.518(6) pm). optical band gaps , Mg and Ca are compared newly measured values for CaMg .
Abstract Yellow to red, transparent single crystals of the lithium oxide chloride Li 5 OCl 3 were obtained as main product from a solid‐state reaction between N and oxygen‐contaminated (covered by Li[OH] crust) with YbCl carbon in silica‐jacketed, arc‐welded niobium ampoules originally designed yield Yb[CN 2 ]. adopts crystal structure Cs CoCl (≡ Cl[CoCl 4 ]) according Cl Li[OLi ] tetragonal space group I4 / mcm (no. 140) cell parameters = 685.28(3) pm c 1093.23(5) for Z 4. Hence, it...
Abstract Crystals of Li[N(CN) 2 ] were synthesized from a metathesis reaction stoichiometric amounts aqueous solutions Na[N(CN) and Li [SO 4 followed by subsequent treatment with ethanol evaporation the filtered‐off solution at 80 °C under normal atmospheric conditions. The single crystals title compound are transparent, colorless, extremly hygroscopic. X‐ray structure analysis showed that crystallizes in monoclinic space group P 2/ c cell parameters = 530.79(8) pm, b 524.89(9) 1149.77(17) β...
One calcium nitride less! Several different binary nitrides of have been reported: Ca(3)N(2), Ca(2)N, Ca(3)N(4), and Ca(11)N(8). X-ray structural analysis spectroscopy revealed the latter is actually cyanamide one of, so far, two examples a new class ternary phases (see boxes in phase diagram).
Für die Erdalkalimetallacetylide CaC2, SrC2 und BaC2 kann Existenz von jeweils drei polymorphen Strukturen angenommen werden, monokline Tieftemperaturform, tetragonale Form kubische Hochtemperaturform. Einkristallstrukturanalysen 13C-MAS-NMR-Messungen ergaben, daß C22–-Ionen in den tetragonalen axialsymmetrisch angeordnet sind. Allerdings enthielten uns synthetisierten CaC2-Proben stets Anteile monokliner tetragonaler Phase. Raman-Spektren zeigten Präsenz zweier verschiedener...
Samples of YB 2 C and GdB were synthesized by arc-melting subsequent annealing the products. Single crystals title compounds examined with single-crystal X-ray methods. Five different tetragonal unit cell settings from literature (obtained on basis symmetry considerations) used for refinement crystal structure , but a converging was only achieved structural model in space group P4=mbm (no. 127, Z = 2) 533:27(3) c 354:58(3) pm, without obvious inconsistencies. Nevertheless, results five are...
Abstract CuCN was investigated by chemical analysis, IR spectroscopy and powder X-ray diffraction. A high-temperature phase of identified structurally characterized Rietveld refinement. HT-CuCN is isotypic to AgCN (R3m (No. 166), Z = 3, a 597.109(8), c 484.33(5) pm, Cu (3a), C/N (6c), z 0.3915(10) at 77 K) with head-tail disorder the cyanide anions.
The crystal structure of Li[SCN] · 2 H O has been determined by single-crystal X-ray diffraction on commercially available material. Crystals this compound are colorless, transparent and hygroscopic. 2H adopts the orthorhombic space group Pnma with cell parameters a = 572.1(3), b 809.3(4) c 966.9(4) pm Z 4. was obtained dehydration afore-mentioned dihydrate also crystallizes orthorhombically in lattice 1215.1(3), 373.6(1) 529:9(2) (Z 4). Both compounds contain Li+ cations sixfold...
Abstract New compounds of the general formula A 4 [Nb 6 Cl 12 (NCS) ](H 2 O) (A = K, Rb, NH ) were synthesized from Nb 14 and ASCN in aqueous solutions. X‐ray structure refinements performed on single‐crystal data three compounds. They are isotypic crystallize with space group P 1 (Z 1) lattice parameters: a 877.9(3) pm, b 1176.6(3) c 1187.0(3) α 114.29(1)°, β 98.96(2)°, γ 100.91(2)° for K ( ); 887.6(3) 1184.0(4) 1195.4(4) 114.95(2)°, 98.84(2)°, 101.31(2)° Rb 886.0(4) 1181.1(6) 1183.9(6)...
Single crystals of Eu 5 (BO 3 ) Cl were obtained by serendipity reacting 2 O and Mg with B at 1300 K in the presence an NaCl melt for 13 h silica-jacketed Nb ampoules. Ba X (X = Cl, Br) formed direct synthesis from appropriate amounts Ba(OH) , H BO respective barium halide (hydrate) alumina crucibles kept open atmosphere h. The crystal structures title compounds determined single-crystal X-ray diffraction. All crystallize isotypically to Sr orthorhombic space group C222 1 (no. 20, Z 4)...
Crystals of LiCs2[N(CN)2]3 were obtained from the reaction stoichiometric amounts aqueous solutions LiCl and CsBr with Ag[N(CN)2]. X-ray single-crystal structure analysis showed that crystallizes isotypically to NaCs2[N(CN)2]3 adopts hexagonal space group P63/m (No. 176), a = 6.8480(8), c 14.1665(17) Å, Z 2. The IR Raman spectra title compound exhibit modes typical for dicyanamide anion.
Abstract The crystal chemistry of nitridoborates with the CO 2 analogous [BN ] 3− ion is reviewed. Such form alkali and alkaline earth metals as well divalent europium. Also quaternary compounds mixed cations along nitridoborate nitrides, oxides, halides hydrides are discussed. spectroscopic (IR, Raman, solid state NMR Mössbauer spectroscopy) magnetic behavior optical properties discussed in light structure-property relationships.
Abstract Cesium dicyanamide Cs[C 2 N 3 ] (≡ Cs[N(CN) or Cs[dca]) was obtained by a metathesis reaction in form of transparent colorless platelets. The results single-crystal X-ray structure measurements and refinements ( C 2/ c , Z = 8) with the monoclinic cell parameters 932.31(8), b 1274.67(9), 824.94(7) pm, β 110.803(3)° at −70 °C 939.59(7), 1281.58(8), 827.57(6) 110.610(3)° 20 corroborate earlier for this compound. Raman IR spectra are presented first time result compares well those NaCs...
The Cluster Azides M2[Nb6Cl12(N3)6]·(H2O)4—x (M = Ca, Sr, Ba) isotypic cluster compounds M2[Nb6Cl12(N3)6] · (H2O)4—x Ca (1), M Sr (2) and Ba (3)) have been synthesized by the reaction of an aequeous solution Nb6Cl14 with M(N3)2. 1, 2 3 crystallize in space group Fd3¯ (No. 227) lattice constants a 1990.03(23), 2015.60(12) 2043, 64(11) pm, respectively. All contain isolated 16e— clusters whose terminal positions are all occupied orientationally disordered azide ligands.
Single crystals of Ca 11 N 6 [CN 2 ] (dark red needles, tetragonal, P4 /mnm (no. 136), a = 1456.22(5), and c 361.86(2) pm, Z 2), 4 (transparent yellow orthorhombic, Pnma 62), 1146.51(11), b 358.33(4), 1385.77(13) 4) Ca[CN (transparent, colorless, triangular plates, rhombohedral, R3̅m 166), 369.00(3), 1477.5(3) 3) were obtained by the reaction Na ], CaCl 3 (if demanded stoichiometry) in arc-welded Ta ampoules at temperatures between 1200 - 1400 K. Their crystal structures re-determined means...
The unit cell of Na[OCN] has been determined on single crystals at 170 K to have rhombohedral symmetry with the lattice parameters a = 356.79(10) and c 1512.3(5) pm (hexagonal setting). According only model for which converging refinement could be achieved, crystallizes isopointal β -NaN 3 in space group R¯3m (no. 166, Z 3) statistically disordered [OCN]− anion. positional coordinates displacement not separated O N end atoms triatomic vibrational spectra show frequencies typical an moiety...