TY  - JOUR
A1  - Wessig, Pablo
A1  - Matthes, Annika
A1  - Schilde, Uwe
A1  - Kelling, Alexandra
T1  - Asymmetric synthesis of (1,5)Naphthalenophanes by Dehydro-Diels-Alder reaction
JF  - European journal of organic chemistry
N2  - An asymmetric variant of the dehydro-Diels-Alder (DDA) reaction has been developed and applied in the atropselective synthesis of various (1,5)naphthalenophanes. Whereas the suitability of the photochemically induced DDA (PDDA) was limited, the thermally induced DDA provided the desired product, depending on the chiral auxiliary used and the length of the linker, with nearly perfect stereoselectivity. Furthermore, the mechanism of the DDA was investigated by means of DFT calculations, and a stepwise mechanism involving 1,4-biradicals was suggested.
KW  - Synthetic methods
KW  - Macrocycles
KW  - Cyclophanes
KW  - Atropisomerism
KW  - Chiral auxiliaries
KW  - Density functional calculations
Y1  - 2013
U6  - https://doi.org/10.1002/ejoc.201201594
SN  - 1434-193X
IS  - 11
SP  - 2123
EP  - 2129
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Linker, Torsten
A1  - Fudickar, Werner
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
T1  - Crystal structure of dimethyl 1,4-dioxaspiro[4,5]dec-6-ene-(8R)-[(3,5-dinitrobenzoyl)oxa]-(2R,3R)-dica rboxylate, C19H18N2O12
JF  - Zeitschrift für Kristallographie : international journal for structural, physical and chemical aspects of crystalline materials ; New crystal structures
N2  - C19H18N2O12, orthorhombic, P2(1)2(1)2(1) (no. 19), a = 6.2472(6) angstrom, b = 17.576(2) angstrom, c = 18.848(3) angstrom, V = 2069.6 angstrom(3), Z = 4, R-gt(F) = 0.0393, wR(ref)(F-2) = 0.0694, T = 210 K.
Y1  - 2013
U6  - https://doi.org/10.1524/ncrs.2013.0123
SN  - 1433-7266
VL  - 228
IS  - 2
SP  - 241
EP  - 242
PB  - De Gruyter Oldenbourg
CY  - München
ER  - 
TY  - JOUR
A1  - Linker, Torsten
A1  - Bramborg, Andrea
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
T1  - Crystal structure of trans-1,4-di-(2-(allyloxyethyl)-cyclohexa-2,5-diene-1,4-dicarboxylic acid, C18H24O6
JF  - Zeitschrift für Kristallographie : international journal for structural, physical and chemical aspects of crystalline materials ; New crystal structures
N2  - C18H24O6, triclinic, P (1) over bar (no. 2), a = 5.726(1) angstrom, b = 8.845(2) angstrom, c = 9.557(2) angstrom, alpha = 105.27(1)degrees, beta = 102.76(1)degrees, gamma = 103.49(1)degrees, V = 433.0 angstrom(3), Z = 1, R-gt(F) = 0.0412, wR(ref)(F-2) = 0.1075, T = 210 K.
Y1  - 2013
U6  - https://doi.org/10.1524/ncrs.2013.0124
SN  - 1433-7266
VL  - 228
IS  - 2
SP  - 243
EP  - 244
PB  - De Gruyter Oldenbourg
CY  - München
ER  - 
TY  - JOUR
A1  - Baier, Heiko
A1  - Kelling, Alexandra
A1  - Jackstell, Ralf
A1  - Holdt, Hans-Jürgen
T1  - Rhodium(I) and Silver(I) Complexes of 4,5-Dicyano-1,3-dimesityl- and 4,5-Dicyano-1,3-dineopentylimidazol-2-ylidene
JF  - Zeitschrift für anorganische und allgemeine Chemie
N2  - The new N-heterocyclic carbene (NHC) precursors 4,5-dicyano-1, -dimesityl- (9) and 4, 5-dicyano-1, 3-dineopentyl-2-(pentafluorophenyl)imidazoline (14) were synthesized. 9 could be determined by X-ray crystallography. With the 2-pentafluorophenyl-substituted imidazolines 9 and 14, the [AgCl(NHC)], [RhCl(COD)(NHC)], and [RhCl(CO)(2)(NHC)] complexes [NHC = 4, 5-dicyano-1, 3-dimesitylimidazol-2-ylidene (3) and 4, 5-dicyano-1, 3-dineopentylimidazol-2-ylidene (4)] were obtained. Crystal structures of [AgCl(3)] (15), [RhCl(COD)(3)] (17), [RhCl(COD)(4)] (18), and [RhCl(CO)(2)(3)] (19) were solved and with the crystal data of 19, the percent buried volume (%V-bur) of 31.8(+/- 0.1)% was determined for NHC 3. Infrared spectra of the imidazolines 9 and 14 and of the complexes 15-20 were recorded and the CO stretching frequencies of complexes 19 and 20 were used to determine the 3 ( (-1)) and 4 ( (-1)), thus proving that 1, 3-substitution of maleonitrile-NHCs does not have a significant effect for the high -acceptor strength of these carbenes.
KW  - Carbenes
KW  - Rhodium
KW  - Silver
KW  - Crystal structure
KW  - Diaminomaleonitrile
Y1  - 2013
U6  - https://doi.org/10.1002/zaac.201300250
SN  - 0044-2313
SN  - 1521-3749
VL  - 639
IS  - 10
SP  - 1731
EP  - 1739
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Schwarze, Thomas
A1  - Traeger, Juliane
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Holdt, Hans-Jürgen
T1  - Macrocyclic dithiomaleonitriles for an efficient PdCl2 coordination
JF  - Inorganica chimica acta : the international inorganic chemistry journal
N2  - We have synthesized a set of new unsaturated macrocyclic dithioethers with an increasing number of flexible methylene units 1-7 (Scheme 2) to investigate the correlation between the ring size of these ligands, the chelation effect and the consequences for an efficient PdCl2 coordination. The dithioethers 1-7 and the complex [PdCl2(4)]center dot CHCl3 were characterized by X-ray diffraction analysis. The crystal structures of 1-7 show that 2-7 are better preorganized chelating ligands for an exocyclic PdCl2 coordination than 1. The chelation effect of 1-7, the orientation of the sulfur atoms and the S center dot center dot center dot S donor distances, are influenced by the flexibility of the methylene units. In this series the unsaturated macrocyclic ligands 5 and 6 are the best chelating ligands for an efficient PdCl2 coordination. Comparative solvent extraction experiments with mn-12S(2)O(2) (mn = maleonitrile) reveal that the low interface activity of the new ligands reduces the extraction rate. However, a comparison with open-chain dithiomaleonitriles shows the impact of the macrocyclic effect of 4 and 5 on the extraction yield.
KW  - Thioether ligands
KW  - Palladium
KW  - Synthesis
KW  - X-ray diffraction
KW  - Chelation effect
KW  - Extraction
Y1  - 2013
U6  - https://doi.org/10.1016/j.ica.2013.08.020
SN  - 0020-1693
SN  - 1873-3255
VL  - 408
IS  - 2
SP  - 53
EP  - 58
PB  - Elsevier
CY  - Lausanne
ER  - 
TY  - JOUR
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
JF  - CrystEngComm
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 H-2, CO2 and CH4 showed wide hysteretic isotherms, typical for MOFs having a flexible substituent which can give rise to a gate effect.
Y1  - 2013
U6  - https://doi.org/10.1039/c3ce41632a
SN  - 1466-8033
VL  - 15
IS  - 45
SP  - 9394
EP  - 9399
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  - 
TY  - JOUR
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
JF  - Chemical communications
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 N-2 and CH4 gases.
Y1  - 2013
U6  - https://doi.org/10.1039/c3cc42156b
SN  - 1359-7345
VL  - 49
IS  - 69
SP  - 7599
EP  - 7601
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  -