TY  - GEN
A1  - Adamovich, Sergey N.
A1  - Mirskova, Anna N.
A1  - Mirskov, Rudolf G.
A1  - Schilde, Uwe
T1  - Synthesis and crystal structure of 1,4,10,13-tetraoxa-7,16-diazoniumcyclo-octadecane bis(4-chloro-2-methyl-phenoxyacetate)
N2  - The title compound was prepared by the reaction of 1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane with 4-chloro-2-methyl-phenoxyacetic acid in a ratio of 1:2. The structure has been proved by the data of elemental analysis, IR spectroscopy, NMR ( 1 H, 13 C) technique and by X-ray diffraction analysis. Intermolecular hydrogen bonds between the azonium protons and oxygen atoms of the carboxylate groups were found. Immunoactive properties of the title compound have been screened. The compound has the ability to suppress spontaneous and Con A-stimulated cell proliferation in vitro and therefore can be considered as immunodepressant.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 369 
KW  - salts
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-400905
ER  - 
TY  - GEN
A1  - Grunwald, Nicolas
A1  - Kelling, Alexandra
A1  - Holdt, Hans-Jürgen
A1  - Schilde, Uwe
T1  - The crystal structure of 1,1′-bisisoquinoline, C18H12N2
N2  - C18H12N2, tetragonal, I41/a (no. 88), a=13.8885(6) Å, c=13.6718(6) Å, V =2637.2(3) Å3, Z =8, Rgt(F)=0.0295, wRref(F2)=0.0854, T =210 K. CCDC no.: 631823
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 380 
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-401952
ER  - 
TY  - GEN
A1  - Kirste, Matthias
A1  - Brietzke, Thomas Martin
A1  - Holdt, Hans-Jürgen
A1  - Schilde, Uwe
T1  - The crystal structure of 1,12-diazaperylene, C₁₈H₁₀N₂
T2  - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe
N2  - C₁₈H₁₀N₂, monoclinic, P2₁/c (no. 14), a=7.9297(9) Å,
b=11.4021(14) Å, c=13.3572(15) Å, β=105.363(8)°,
V =1164.5(2) ų, Z =4, Rgt(F)=0.0325, wRref(F²)=0.0774,
T =210(2) K.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 752 
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-436501
SN  - 1866-8372
IS  - 752
ER  - 
TY  - GEN
A1  - Krueger, Tobias
A1  - Kelling, Alexandra
A1  - Linker, Torsten
A1  - Schilde, Uwe
T1  - Crystal structures of three cyclohexane‑based γ‑spirolactams
BT  - determination of configurations and conformations
T2  - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe
N2  - The title compounds, 2-azaspiro[4.5]deca-1-one, C₉H₁₅NO, (1a), cis-8-methyl-2-azaspiro[4.5]deca-1-one, C₁₀H₁₇NO, (1b), and trans-8-methyl-2-azaspiro[4.5]deca-1-one, C₁₀H₁₇NO, (1c), were synthesized from benzoic acids 2 in only 3 steps in high yields. Crystallization from n-hexane afforded single crystals, suitable for X-ray diffraction. Thus, the configurations, conformations, and interesting crystal packing effects have been determined unequivocally. The bicyclic skeleton consists of a lactam ring, attached by a spiro junction to a cyclohexane ring. The lactam ring adopts an envelope conformation and the cyclohexane ring has a chair conformation. The main difference between compound 1b and compound 1c is the position of the carbonyl group on the 2-pyrrolidine ring with respect to the methyl group on the 8-position of the cyclohexane ring, which is cis (1b) or trans (1c). A remarkable feature of all three compounds is the existence of a mirror plane within the molecule. Given that all compounds crystallize in centrosymmetric space groups, the packing always contains interesting enantiomer-like pairs. Finally, the structures are stabilized by intermolecular N–H···O hydrogen bonds.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 738 
KW  - 2-Azaspiro[4.5]deca-1-ones
KW  - Cis- and trans-form
KW  - Configuration
KW  - Conformation
KW  - Lactams
Y1  - 1019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-434911
IS  - 738
ER  - 
TY  - GEN
A1  - König, Jana
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Strauch, Peter
T1  - [µ2-O,O′,Oʺ,Oʺ′-Bis(1,2-dithiooxalato-S,S′)nickel(II)]bis[-O,O′-bis(1,2-dithiooxalato-S,S′)-nickel(II)pentaquaholmium(III)]hydrate, [Ho2Ni3(dto)6(H2O)10]
N2  - Planar bis(1,2-dithiooxalato)nickelate(II), [Ni(dto)]2− reacts in aqueous solutions with lanthanide ions (Ln3+) to form pentanuclear, hetero-bimetallic complexes of the general composition [{Ln(H2O)n}2{Ni(dto)2}3]·xH2O. (n = 4 or 5; x = 9–12). The complex [{Ho(H2O)5}2{Ni(dto)2}3]·10H2O, Ho2Ni3, was synthesized and characterized by single crystal X-ray structure analysis and powder diffraction. The Ho2Ni3 complex crystallizes as monoclinic crystals in the space group P21/c. The channels and cavities, appearing in the crystal packing of the complex molecules, are occupied by a varying amount of non-coordinated water molecules.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 360 
KW  - lanthanides
KW  - holmium(III)
KW  - 1,2-dithiooxalate
KW  - crystal structure
KW  - nickel(II)
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-400598
ER  - 
TY  - GEN
A1  - Mirskova, Anna N.
A1  - Adamovich, Sergey N.
A1  - Mirskov, Rudolf G.
A1  - Schilde, Uwe
T1  - Reaction of pharmacological active tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2
BT  - first conversion of a protic ionic liquid into metallated ionic liquid
N2  - The reaction of pharmacological active protic ionic liquid tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate H + N(CH 2 CH 2 OH) 3 ∙ ( - OOCCH 2 SC 6 H 4 Cl-4) (1) with zinc or nickel chloride in a ratio of 2:1 affords stable at room temperature powder-like adducts [H + N(CH 2 CH 2 OH) 3 ] 2 ∙ [M(OOCCH 2 SC 6 H 4 Cl-4) 2 Cl 2 ] 2- , M = Zn (2), Ni (3). By recrystallization from aqueous alcohol compound 2 unexpectedly gives Zn(OOCCH 2 SC 6 H 4 Cl-4) 2 ∙ 2H 2 O (4). Unlike 2, compound 3 gives crystals [N(CH 2 CH 2 OH) 3 ] 2 Ni 2+ · [ - OOCCH 2 SC 6 H 4 Cl-4] 2 (5), which have a structure of metallated ionic liquid. The structure of 5 has been proved by X-ray diffraction analysis. It is the first example of the conversion of a protic ionic liquid into potentially biological active metallated ionic liquid (1 → 3 → 5).
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 377 
KW  - Formate
KW  - Salts
KW  - Acids
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-401099
ER  - 
TY  - GEN
A1  - Mondal, Suvendu Sekhar
A1  - Bhunia, Asamanjoy
A1  - Baburin, Igor A.
A1  - Jäger, Christian
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Seifert, Gotthard
A1  - Janiak, Christoph
A1  - Holdt, Hans-Jürgen
T1  - Gate effects in a hexagonal zinc-imidazolate-4-amide-5-imidate framework with flexible methoxy substituents and CO2 selectivity
N2  - A new imidazolate-4-amide-5-imidate based MOF, IFP-7, is generated, having flexible methoxy groups, which act as molecular gates for guest molecules. This allows highly selective CO2 sorption over N2 and CH4 gases.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 233 
KW  - adsorption
KW  - capacity
KW  - carbon-dioxide capture
KW  - coordination polymer
KW  - flexibility
KW  - hydrogen storage
KW  - ligand
KW  - metal-organic frameworks
KW  - mixed-matrix membranes
KW  - separation
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-94341
SP  - 7599
EP  - 7601
ER  - 
TY  - GEN
A1  - Mondal, Suvendu Sekhar
A1  - Bhunia, Asamanjoy
A1  - Demeshko, Serhiy
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Janiak, Christoph
A1  - Holdt, Hans-Jürgen
T1  - Synthesis of a Co(II)–imidazolate framework from an anionic linker precursor
BT  - gas-sorption and magnetic properties
N2  - A Co(II)–imidazolate-4-amide-5-imidate based MOF, IFP-5, is synthesized by using an imidazolate anion-based novel ionic liquid as a linker precursor under solvothermal conditions. IFP-5 shows significant amounts of gas (N2, CO2, CH4 and H2) uptake capacities. IFP-5 exhibits an independent high spin Co(II) centre and antiferromagnetic coupling.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 235 
KW  - building-blocks
KW  - carbon-dioxide capture
KW  - exchange
KW  - ionic liquids
KW  - ionothermal synthesis
KW  - ligand
KW  - metal-organic frameworks
KW  - solvent
KW  - surface
KW  - zeolitic imidazolate frameworks
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-94424
SP  - 39
EP  - 42
ER  - 
TY  - GEN
A1  - Mondal, Suvendu Sekhar
A1  - Bhunia, Asamanjoy
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Janiak, Christoph
A1  - Holdt, Hans-Jürgen
T1  - A supramolecular Co(II)₁₄-metal–organic cube in a hydrogen-bonded network and a Co(II)–organic framework with a flexible methoxy substituent
N2  - The reaction of 4,5-dicyano-2-methoxyimidazole (L1) with Co(NO3)2·6H2O under solvothermal conditions in DMF, a MOF, IFP-8 and a hydrogen-bonded network consisting of tetradecanuclear Co(II)14-metal organic cube (1) are achieved. 1 shows the bcu net with 14 cobalt atoms.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - paper 169 
KW  - zinc
Y1  - 2014
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-74098
IS  - 169
SP  - 5441
EP  - 5443
ER  - 
TY  - GEN
A1  - Mondal, Suvendu Sekhar
A1  - Dey, Subarna
A1  - Baburin, Igor A.
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Seifert, Gotthard
A1  - Janiak, Christoph
A1  - Holdt, Hans-Jürgen
T1  - Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal–organic frameworks with flexible ethoxy substituent
N2  - A rare example of in situ linker generation with the formation of soft porous Zn- and Co-MOFs (IFP-9 and -10, respectively) is reported. The flexible ethoxy groups of IFP-9 and -10 protrude into the 1D hexagonal channels. The gas-sorption behavior of both materials for H2, CO2 and CH4 showed wide hysteretic isotherms, typical for MOFs having a flexible substituent which can give rise to a gate effect.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 234 
KW  - adsorption
KW  - behavior
KW  - carbon-dioxide
KW  - crystals
KW  - gases
KW  - ligand
KW  - pressure
KW  - selectivity
KW  - temperature
KW  - zinc
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-94360
SP  - 9394
EP  - 9399
ER  - 
TY  - GEN
A1  - Schilde, Uwe
A1  - Kelling, Alexandra
A1  - Umbreen, Sumaira
A1  - Linker, Torsten
T1  - Crystal structures of three bicyclic carbohydrate derivatives
N2  - The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis­(acet­yloxy)-7-oxo-2-oxabi­cyclo[4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acet­yloxy-7-hy­droxy­imino-2-oxobi­cyclo­[4.2.0]octan-4-yl acetate, C11H15NO6, (II), and [(3aR,5R,6R,7R,7aS)-6,7-bis­(acet­yloxy)-2-oxo­octa­hydro­pyrano[3,2-b]pyrrol-5-yl]methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives. They can easily be synthesized in a few steps from commercially available glycals. As a result of the ring strain from the four-membered rings in (I) and (II), the conformations of the carbohydrates deviate strongly from the ideal chair form. Compound (II) occurs in the boat form. In the five-membered lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair conformation. As a result of the distortion of the sugar rings, the configurations of the three bicyclic carbohydrate derivatives could not be determined from their NMR coupling constants. From our three crystal structure determinations, we were able to establish for the first time the absolute configurations of all new stereocenters of the carbohydrate rings.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 296 
KW  - crystal structure
KW  - carbohydrate deriv­atives
KW  - conformation
KW  - configuration
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-100833
ER  - 
TY  - GEN
A1  - Schilde, Uwe
A1  - Paz, Christian
A1  - Ortiz, Leandro
T1  - Crystal structure of erioflorin isolated from Podanthus mitiqui (L.)
N2  - The title compound, erioflorin, C19H24O6 [systematic name: (1aR,3S,4Z,5aR,8aR,9R,10aR)-1a, 2,3,5a, 7,8,8a, 9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6] cyclodeca[1,2-b]furan-9-yl methacrylate], is a tricyclic germacrane sesquiterpene lactone, which was isolated from Podanthus mitiqui (L.). The compound crystallizes in the space group P2(1)2(1)2(1), and its molecular structure consists of a methacrylic ester of a ten-membered ring sesquiterpenoid annelated with an epoxide and a butyrolactone. The structure is stabilized by one intramolecular C-H center dot center dot center dot O hydrogen bond. An O-H center dot center dot center dot O hydrogen bond and further C-H center dot center dot center dot O interactions can be observed in the packing.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 379 
KW  - Podanthus mitiqui
KW  - crystal structure
KW  - germacrane sesquiterpene lactone
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-401832
ER  - 
TY  - GEN
A1  - Steeples, Elliot
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Esposito, Davide
T1  - Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki–Miyaura couplings
N2  - In this work, three ligands produced from amino acids were synthesized and used to produce five bis- and PEPPSI-type palladium–NHC complexes using a novel synthesis route from sustainable starting materials. Three of these complexes were used as precatalysts in the aqueous-phase Suzuki–Miyaura coupling of various substrates displaying high activity. TEM and mercury poisoning experiments provide evidence for Pd-nanoparticle formation stabilized in water.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 319 
KW  - transition-metal-complexes
KW  - imidazolium salts
KW  - green chemistry
KW  - water
KW  - catalysts
KW  - nhc
KW  - hydrogenation
KW  - isomerization
KW  - nanoparticles
KW  - precatalysts
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-394488
SP  - 4922
EP  - 4930
ER  - 
TY  - GEN
A1  - Winter, Alette
A1  - Thiel, Kerstin
A1  - Zabel, André
A1  - Klamroth, Tillmann
A1  - Pöppl, Andreas
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Taubert, Andreas
A1  - Strauch, Peter
T1  - Tetrahalidocuprates(II) – structure and EPR spectroscopy
BT  - Part 2: tetrachloridocuprates(II)
N2  - We present and discuss the results of crystallographic and electron paramagnetic resonance (EPR) spectroscopic analyses of five tetrachloridocuprate(II) complexes to supply a useful tool for the structural characterisation of the [CuCl4]2− moiety in the liquid state, for example in ionic liquids, or in solution. Bis(benzyltriethylammonium)-, bis(trimethylphenylammonium)-, bis(ethyltriphenylphosphonium)-, bis(benzyltriphenylphosphonium)-, and bis(tetraphenylarsonium)tetrachloridocuprate(II) were synthesised and characterised by elemental, IR, EPR and X-ray analyses. The results of the crystallographic analyses show distorted tetrahedral coordination geometry of all [CuCl4]2− anions in the five complexes and prove that all investigated complexes are stabilised by hydrogen bonds of different intensities. Despite the use of sterically demanding ammonium, phosphonium and arsonium cations to obtain the separation of the paramagnetic Cu(II) centres for EPR spectroscopy no hyperfine structure was observed in the EPR spectra but the principal values of the electron Zeeman tensor, g∥ and g⊥, could be determined. With these EPR data and the crystallographic parameters we were able to carry out a correlation study to anticipate the structural situation of tetrachloridocuprates in different physical states. This correlation is in good agreement with DFT calculations.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 240 
KW  - electron-spin resonance
KW  - liquid-crystal precursors
KW  - copper(II) halide salts
KW  - ionic liquid
KW  - square planar
KW  - tetrachlorocuprate(II) salts
KW  - molecular-structure
KW  - magnetic-properties
KW  - paramagnetic-resonance
KW  - temperature phase
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-95012
SP  - 1019
EP  - 1030
ER  - 
TY  - GEN
A1  - Zabel, André
A1  - Winter, Alette
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Strauch, Peter
T1  - Tetrabromidocuprates(II)-Synthesis, Structure and EPR
N2  - Metal-containing ionic liquids (ILs) are of interest for a variety of technical applications, e.g., particle synthesis and materials with magnetic or thermochromic properties. In this paper we report the synthesis of, and two structures for, some new tetrabromidocuprates(II) with several “onium” cations in comparison to the results of electron paramagnetic resonance (EPR) spectroscopic analyses. The sterically demanding cations were used to separate the paramagnetic Cu(II) ions for EPR measurements. The EPR hyperfine structure in the spectra of these new compounds is not resolved, due to the line broadening resulting from magnetic exchange between the still-incomplete separated paramagnetic Cu(II) centres. For the majority of compounds, the principal g values (g|| and gK) of the tensors could be determined and information on the structural changes in the [CuBr4]2- anions can be obtained. The complexes have high potential, e.g., as ionic liquids, as precursors for the synthesis of copper bromide particles, as catalytically active or paramagnetic ionic liquids.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 226 
KW  - tetrabromidocuprate(II)
KW  - X-ray structure
KW  - electron paramagnetic resonance
KW  - copper(II)
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-91470
ER  - 
TY  - GEN
A1  - Zehbe, Kerstin
A1  - Kollosche, Matthias
A1  - Lardong, Sebastian
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Taubert, Andreas
T1  - Ionogels based on poly(methyl methacrylate) and metal-containing ionic liquids
BT  - correlation between structure and mechanical and electrical properties
N2  - Ionogels (IGs) based on poly(methyl methacrylate) (PMMA) and the metal-containing ionic liquids (ILs) bis-1-butyl-3-methlimidazolium tetrachloridocuprate(II), tetrachloride cobaltate(II), and tetrachlorido manganate(II) have been synthesized and their mechanical and electrical properties have been correlated with their microstructure. Unlike many previous examples, the current IGs show a decreasing stability in stress-strain experiments on increasing IL fractions. The conductivities of the current IGs are lower than those observed in similar examples in the literature. Both effects are caused by a two-phase structure with micrometer-sized IL-rich domains homogeneously dispersed an IL-deficient continuous PMMA phase. This study demonstrates that the IL-polymer miscibility and the morphology of the IGs are key parameters to control the (macroscopic) properties of IGs.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 361 
KW  - microstructure
KW  - ionogels
KW  - ionic liquids
KW  - phase separation
KW  - mechanical properties
KW  - ionic conductivity
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-400607
ER  -