Search results for "Acceptor"
showing 10 items of 394 documents
(E)-7-(Pyren-1-yl)hept-6-enoic acid
2010
The title compound, C23H20O2, is a precursor of a pyrene-based supramolecular element for non-covalent attachment to a carbon nanotube. The asymmetric unit contains three independent molecules. The carboxylic acid group in each of these molecules serves as an intermolecular hydrogen-bond donor and acceptor, generating the commonly observed double O—H...O hydrogen-bond motif in an eight-membered ring. Weaker C—H...O, π–π [centroid–centroid distance = 3.968 (4) Å] and C—H...π interactions are also found in the crystal structure.
Synthesis of oxaspiranic compounds through [3 + 2] annulation of cyclopropenones and donor–acceptor cyclopropanes.
2014
The Sc(OTf)3-catalyzed [3 + 2]-annulation reaction between cyclopropenones and donor–acceptor cyclopropanes is described. The process leads directly to the formation of 4-oxaspiro[2.4]hept-1-ene derivatives in good to excellent reaction yields. Density functional theory calculations suggest that the [3 + 2]-annulation pathway is strongly preferred over the possible [3 + 3]-process.
NADPH-cytochrome P-450 reductase: Preferential inhibition by ellipticine and other type II compounds having little effect on NADPH-cytochrome c reduc…
1980
Abstract Ellipticine (5,11-dimethyl-[6H]-pyrido[4,3b]carbazole) binds with an affinity greater than most other compounds known to interact with P-450. Control and 3-methylcholanthrene-induced aryl hydrocarbon (benzo[ a ]pyrene) hydroxylase (EC 1.14.14.2) and acetanilide 4-hydroxylase and control and phenobarbital-induced ethylmorphine N -demethylase activities are all markedly inhibited by ellipticine to about the same extent. Ellipticine and other Type II compounds (metyrapone, octylamine-1, pyridine and aniline) preferentially inhibit NADPH-cytochrome P-450 reductase activity, while affecting NADPH-cytochrome c reductase activity very little. Butanol-1, a compound having pure Reverse Type…
Role of photoactive layer morphology in high fill factor all-polymer bulk heterojunction solar cells
2011
We report on the realization of all-polymer solar cells based on blends of poly(3-hexylthiophene-2,5-diyl) (P3HT) as a donor and poly{[N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)} (P(NDI2OD-T2)) as an acceptor. High fill factors are demonstrated for the first time in this class of devices suggesting high dissociation efficiency for the bounded electron-hole pairs and balanced electron and hole mobility along the thin films. The use of the high-mobility n-type P(NDI2OD-T2) polymer enables us to overcome one of the problems limiting the efficiency of all-polymer solar cells, resulting in fill factors comparable with those reported for …
Modelling denitrification including the dynamics of denitrifiers and their progressive ability to reduce nitrous oxide: comparison with batch experim…
2005
Nitrous oxide contributes to the global greenhouse effect and affects the chemistry of O 3 in the upper troposphere and lower stratosphere. To define a relevant model for microbial NO 3 - and N 2 O reductions in soil and estimate the parameters involved, we propose a method combining measurements of anaerobic soil slurry and simulations of NO 3 - and N 2 O reductions, including non-enzymatic competition between NO 3 - and N 2 O as electron acceptors and the microbial dynamics of two denitrifier groups that are either able or unable to reduce N 2 O. Three models varying in the description of soil capability to reduce N 2 O through denitrification were assessed. The procedure was applied on a…
ChemInform Abstract: Diels-Alder Reactions of Methyl- and π-Acceptor-Substituted 2- Vinylindoles with Dimethyl Acetylenedicarboxylate and Tetracyanoe…
2010
The Diels-Alder reactions of the 2-vinylindoles 1a-1d, which are now readily accessible, with dimethyl acetylenedicarboxylate and tetracyanoethylene give rise to the novel 1,2-dihydro- and 1,2,3,4-tetrahydrocarbazoles 2, 4, and 5 as well as the fully aromatized carbazoles 3. With regard to the product spectrum, the mechanistic rationale comprises a Diels-Alder step, formal 1,3-hydrogen shift, ene reaction, and dehydrogenation. Conformational aspects of the 1,2-dihydrocarbazoles 2b and 2c are also discussed.
Diels-alder reactions of methyl- and π-acceptor-substituted 2-vinylindoles with dimethyl acetylenedicarboxylate and tetracyanoethylene: Novel functio…
1991
The Diels-Alder reactions of the 2-vinylindoles 1a-1d, which are now readily accessible, with dimethyl acetylenedicarboxylate and tetracyanoethylene give rise to the novel 1,2-dihydro- and 1,2,3,4-tetrahydrocarbazoles 2, 4, and 5 as well as the fully aromatized carbazoles 3. With regard to the product spectrum, the mechanistic rationale comprises a Diels-Alder step, formal 1,3-hydrogen shift, ene reaction, and dehydrogenation. Conformational aspects of the 1,2-dihydrocarbazoles 2b and 2c are also discussed.
Elongated push–pull diphenylpolyenes for nonlinear optics: molecular engineering of quadratic and cubic optical nonlinearities via tuning of intramol…
1999
Abstract Push–pull polyenes are of particular interest for nonlinear optics (NLO) as well as model compounds for long-distance intramolecular charge transfer (ICT). In order to tune the ICT phenomenon and control the linear and nonlinear optical properties, we have synthesized and investigated several series of soluble push–pull diphenylpolyenes of increasing length and having various donor (D) and acceptor (A) end groups. Their linear and NLO properties have been studied by performing electro-optical absorption measurements (EOAM) and third-harmonic generation (THG) experiments in solution. Each push–pull molecule exhibits an intense ICT absorption band in the visible characterized by an i…
Synthesis and Spectroscopic Properties of Silica−Dye−Semiconductor Nanocrystal Hybrid Particles
2010
We prepared silica-dye-nanocrystal hybrid particles and studied the energy transfer from semiconductor nanocrystals (= donor) to organic dye molecules (= acceptor). Multishell CdSe/CdS/ZnS semiconductor nanocrystals were adsorbed onto monodisperse Stöber silica particles with an outer silica shell of thickness 2-23 nm containing organic dye molecules (Texas Red). The thickness of this dye layer has a strong effect on the energy transfer efficiency, which is explained by the increase in the number of dye molecules homogeneously distributed within the silica shell, in combination with an enhanced surface adsorption of nanocrystals with increasing dye amount. Our conclusions were underlined by…
Hydration entropy of BaZrO3 from first principles phonon calculations
2015
The impact of phonons on the hydration and defect thermodynamics of undoped and acceptor (Sc, In, Y and Gd) doped BaZrO3 is addressed by means of first principles supercell calculations. In contrast to previous, similar investigations, we evaluate contributions from all phonon modes, and also pressure/volume effects on the phonon properties. The calculations are performed at the GGA-level with the PBE and RPBE functionals, both of which predict for BaZrO3 a stable cubic perovskite structure. For all dopants, the vibrational formation entropy of the doubly positively charged oxygen vacancy is significantly lower than that of the protonic defect , which therefore also is the dominant contribu…