Search results for "ylid"
showing 10 items of 1155 documents
Theoretical Study of the 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides. A DFT Study of Reaction between Trifluoromethyl Thiomethyl Azometh…
1999
The molecular mechanism for the 1,3-dipolar cycloaddition of trifluoromethyl thiomethyl azomethine ylide with acronitrile has been characterized using density functional theory methods with the B3L...
Reaction of Diphenyldiazomethane withN-Methyloxy- andN-Ethyloxycarbonyl-N-(2,2,2-trichloroethylidene)amines
1999
Reaction of the title imines with diphenyldiazomethane gives a Δ3-1,3,4-triazoline, which leads, after loss of dinitrogen, to a transient azomethine ylide. Subsequent elimination of ethyl or methyl chloroformate gives the unexpected 1,1-diphenyl-4,4-dichloro-2-aza-1,3-butadiene.
Density functional/molecular dynamics simulations of phase-change materials
2013
Copolymerization of Vinylidene Fluoride and Acrylic Acid in Supercritical Carbon Dioxide
2010
The free-radical copolymerization of vinylidene fluoride (VDF) and acrylic acid (AA) was carried out in supercritical carbon dioxide using both precipitation and dispersion techniques in the presence of an ammonium carboxylate perfluoropolyether compound. Formation of a copolymer was confirmed by variable contact time CP MAS NMR spectroscopy. Macromolecular matrices were significantly enriched in AA with respect to the initial feed composition and we found that the nonfluorinated monomer has a much higher reactivity ratio with respect to VDF. The cumulative concentration, crystallinity, and water affinity of the synthesized copolymers could be modified changing the initial feed composition,…
Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.
2018
The title pseudo-polymorph of 3-(triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione crystallizes with a tetrahydrofuran solvent molecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032 Å). The tetrahydrofuran molecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718 (4):0.282 (4). In the crystal, C—H...O hydrogen bonds link molecules of the dihydrofuran-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetrahydrofuran layers.
Dibromido[N-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-N′-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate
2019
In the molecule of the title N,N′-disubstituted imidazol-2-ylidene palladium(II) complex, [PdBr2(C21H24N4O)]·CH2Cl2, the palladium(II) atom adopts a slightly distorted square-planar coordination (r.m.s. deviation = 0.0145 Å), and the five-membered chelate ring is almost planar [maximum displacement = 0.015 (8) Å]. The molecular conformation is enforced by intramolecular C—H...Br hydrogen bonds. In the crystal, complex molecules and dichloromethane molecules are linked into a three-dimensional network by C—H...O and C—H...Br hydrogen bonds.
Crystal structure of 2-hydroxyimino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide
2014
The molecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, molecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).
Crystal structure of chlorido(2-{[2-(4-chlorophenyl)hydrazin-1-ylidene-κN1](phenyl)methyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)iridium(III) te…
2015
The title compound, [Ir(η5-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinylidenepyridine ligand isN,N-coordinated through theN-pyridyl andN-hydrazinylidene groups forming a five-membered metallacycle. An intramolecular C—H...Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C—Cl...π interactions, forming a dimeric structure. The crystal packing is further stabilized by weak interionic C—H...π interactions.
CCDC 1880078: Experimental Crystal Structure Determination
2019
Related Article: Wenqian Shan, Nicolas Desbois, Sandrine Pacquelet, Stéphane Brandès, Yoann Rousselin, Jeanet Conradie, Abhik Ghosh, Claude P. Gros, Karl M. Kadish|2019|Inorg.Chem.|58|7677|doi:10.1021/acs.inorgchem.8b03006
CCDC 2153375: Experimental Crystal Structure Determination
2022
Related Article: María Vicent-Morales, María Esteve-Rochina, Joaquín Calbo, Enrique Ortí, Iñigo J. Vitórica-Yrezábal, Guillermo Mínguez Espallargas|2022|J.Am.Chem.Soc.|144|9074|doi:10.1021/jacs.2c01957