Search results for "Chloroform"
showing 10 items of 414 documents
CCDC 2000868: Experimental Crystal Structure Determination
2020
Related Article: Marcel Dillenburger, Zijie Qiu, Cheng-Wei Ju, Beate Müller, Svenja Morsbach, Dieter Schollmeyer, Akimitsu Narita, Klaus Müllen|2020|J.Am.Chem.Soc.|142|12916|doi:10.1021/jacs.0c04956
Polymere ester von säuren des Phosphors, 3. Polymerisation des 2-Äthoxy-2-oxo-1,3,2-dioxaphospholans
1975
2-Athoxy-2-oxo-1,3,2-dioxaphospholan (1) wird durch verschiedene Alkoholate sehr schnell und in hoher Ausbeute zu Poly[oxy(athoxyphosphoryl)oxyathylen] (3) polymerisiert. Die Produkte sind hochviskos und farbols. Sie losen sich in Wasser, Alkoholen, Tetrahydrofuran, Dioxan, Methylenchlorid, Chloroform und Dimethylsulfoxid; unloslich sind sie in Ather und in Kohlenwasserstoffen. Polymerisationsgrade bis 83 (M = 12600) wurden gemessen. In wasriger Losung bei Raumtemperatur erfolgte auch nach Tagen kein merklicher hydrolytischer Abbau. Der mutmaslich anionische Polymerisationsmechanismus und mogliche Nebenreaktionen werden kurz diskutiert. 2-Ethoxy-2-oxo-1,3,2-dioxaphospholane (1) is polymeriz…
Conformation of the umifenovir cation in the molecular and crystal structures of four carboxylic acid salts
2014
The umifenovir salts of maleic, salicylic, glutaric, and gentisic acid as well as the chloroform solvate of the salicylate were prepared. Single crystals of the five compounds were obtained and their molecular and crystal structures determined by X-ray diffraction. In each structure the conformation of phenyl ring with respect to the indole group of the umifenovir moiety is different. The water solubility and melting points of the studied umifenovir salts have been determined.
4-Fluoroanilines: synthesis and decomposition
2001
Abstract Fourteen N- and/or 2-substituted 4-fluoroanilines were prepared (the series includes N–C2-bridged compounds). Some of them were found to be thermally unstable when dissolved in chloroform. Both 19 F NMR spectra and comparison of GIAO-DFT calculated and experimental 13 C chemical shifts were used to suggest decomposition products of 4-fluoroanilines.
Tetraurea calix[4]arenes with sulfur functions: synthesis, dimerization to capsules, and self-assembly on gold.
2007
Various calix[4]arene derivatives, fixed in the cone conformation by decylether groups and functionalized at their wide rim by urea residues, were synthesized. In two compounds (4f,g) sulfur functions were attached to the urea groups via different spacers in order to allow binding to metal surfaces. While they exist as single molecules in polar solvents, tetraurea calix[4]arenes of this type (4) combine to form dimeric capsules in aprotic, apolar solvents. A solvent molecule is usually included in such a capsule, if no guest with a higher affinity is present. In the presence of an equimolar amount of the tetratosylurea 5, the exclusive formation of heterodimers, consisting of one molecule o…
Complexation of M3+Lanthanide Cations by Calix[4]arene-CMPO Ligands: A Molecular Dynamics Study in Methanol Solution and at a Water/Chloroform Interf…
2000
Abstract We report a molecular dynamics study on the 1:1 M3+ lanthanide (La3+, Eu3+ and Yb3+) inclusion complexes of an important extractant molecule L: a calix[4]arene-tetraalkyl ether substituted at the wide rim by four NH-C(O)-CH2-P(O)Ph2 arms. The M(NO3)3 and MCl3 complexes of L are compared in methanol solution and at a water / chloroform interface. In the different environments the coordination sphere of M3+ involves the four phosphoryl oxygens and three to four loosely bound carbonyl oxygens of the CMPO-like arms. Based on free energy simulations, we address the question of ion binding selectivity in pure liquid phases and at the liquid-liquid interface where L and the complexes are …
Purification, subunit structure, and kinetics of the chloroform-released F1ATPase complex from Rhodospirillum rubrum and its comparison with F1ATPase…
1979
Abstract A stable and homogeneous adenosine-5ʹ-triphosphatase (ATPase, EC 3.6.1.3) has been solubilized from Rhodospirillum rubrum (R . rubrum) chromatophores by chloroform extraction. Purification of the Ca2+-dependent ATPase activity was 200-fold. Ca2+ can be replaced by Mg2+, Cd2+, and Mn2+ .The Km for Ca-ATP (0.17 mᴍ) is increased about 5-fold during solubilization of the enzyme, whereas the Km values for Mg-ATP (0.029 mᴍ) and Cd-ATP (0.014 mᴍ) are not affected. The chloroform-released ATPase has a molecular weight of 400,000 ± 30,000 and consists of the following subunits (molecular weights in parenthesis): α (58,000), β (53,500), γ (39,000), δ (18,500), and ε (14,000). The amino acid …
Complete basis set B3LYP NMR calculations of CDCl3solvent's water fine spectral details
2008
The assignment of singlet at 1.55 ppm and the 1:1:1 triplet at 1.519 ppm to H2O and HOD in the 400 MHz 1H NMR spectrum of CDCl3 solvent were supported by complete basis set (CBS) GIAO-B3LYP calculated chemical shift and the CBS B3LYP estimated 2J(D,H) spin–spin coupling constant (SSCC). The CBS fitting of B3LYP/cc-pCVxZ and B3LYP/pcJ-n predicted SSCC values, the accurate value of 2J(D,H) = − 1.082 ± 0.030 Hz of HOD in chloroform-d1 and the H/D isotopic shift of 0.0307(1) ppm were reported for the first time. The agreement between CBS B3LYP predicted chemical shift, spin–spin values and experiment was good. Copyright © 2008 John Wiley & Sons, Ltd.
Preferred dimerization of tetra-tolyl- and tetra-tosylurea derivatives of flexible and rigidified calix[4]arenes
2004
The dimerization of tetratolyl- and tetratosyl-urea derivatives 1 and 2, derived from a tetrapentoxy calix[4]arene in the cone conformation and of the corresponding tetra-urea derivatives 3 and 4, in which the cone conformation is rigidified by the two crown-3 tethers, have been studied. All six possible equimolar mixtures were examined by 1H NMR using CDCl3 and CD2Cl2 as solvents. While no heterodimers are found for the combinations 1/3 and 2/4 in either solvent, all remaining combinations lead to the (exclusive) formation of heterodimers in CD2Cl2. In CDCl3 heterodimers are only observed for the combinations of 3 with 2 or 4. These results are discussed in terms of entropic and enthalpic …
Increased acetone exhalation induced by metabolites of halogenated C1 and C2 compounds.
1982
Rats were exposed, in a closed desiccator jar chamber, to concentrations of various halogenated C1 and C2 compounds at which the metabolizing capacities were saturated (Vmax conditions). Within the exposure period of 50 h concentrations of the xenobiotic and of exhaled acetone were monitored in the gas phase of the system. The quantitative extent of acetone exhalation was dependent on the individual compound examined. Acetone exhalation was stimulated in presence of vinyl chloride, vinyl bromide, vinyl fluoride, vinylidene fluoride, cis- and trans-1,2-dichloroethylene, trichloroethylene, perchloroethylene, methylene chloride, chloroform, carbon tetrachloride and 1,1,2-trichloroethane. No st…