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Elucidation of dynamics of molecular rotational motion is an essential part and challenging area of research. We demonstrate reversible diastereomeric interconversion of a molecular rotor composed of overcrowded butterfly-shape alkene (FDF). Its inherent dual rotatory motion (two rotors, one stator) with interconversion between two diastereomers, chiral trans-FDF and meso cis-FDF forms, has been examined in detail upon varying temperatures and solvents. The free energy profile of 180° revolution of one rotor part has a bimodal shape with unevenly positioned maxima (transition states). FDF in aromatic solvents adopts preferentially meso cis-conformation, while in non-aromatic solvents a chiral trans-conformation is more abundant owing to the solvent interactions with peripheral hexyl chains (solvophobic effect). Moderate correlations between the trans-FDF/cis-FDF ratio and solvent parameters, such as refractive index, polarizability, and viscosity were found.

PROBLEM TO BE SOLVED: To provide a technique capable of easily, simply synthesizing carboxylic acid compounds at a few numbers of process without using a device needing a cumbersome temperature control, safety management or the like, expensive reagents or those needing cautions in handling. SOLUTION: There is provided a method capable of synthesizing a carboxylic acid compound by reacting a multiple bond-including organic compound with carbon dioxide in a reaction solvent under the existence of a dispersing element in which an alkali metal is dispersed in a dispersion solvent. SELECTED DRAWING: Figure 1 COPYRIGHT: (C)2021,JPOandINPIT

Dibenzo[a,e]pentalenes (DBPs) are promising candidates to be used as ambipolar or n-type semiconductors in organic field-effect transistors (OFETs). For n-channel conduction, low LUMO energy levels are required. Furthermore, a close molecular packing in t

Activated racemic 2,3-disubstituted 1-indanones 1 possessing two stereolabile centers were stereoselectively reduced to the corresponding chiral 2,3-disubstituted-1-indanols 2 by ruthenium(II)-catalyzed dynamic kinetic resolution-asymmetric transfer hydro

A condensed-cyclic compound and an organic light-emitting diode including the condensed-cyclic compound.

An organic light-emitting device includes a first electrode; a second electrode facing the first electrode; and an organic emission layer between the first electrode and the second electrode. The organic emission layer may include a compound represented by Formula 1: wherein Formula 1 contains an indenoindenyl moiety. The compound may increase hole mobility in the device when used as a hole transport and/or hole injection material, thereby improving its lifetime, current, voltage, and luminescent characteristics.

The present invention relates to a condensed cyclic compound represented by chemical formula 1 and an organic electroluminescence device comprising the same. In chemical formula 1, R_1 to R_13, Ar_1, Ar_2, A, B, a, and b are the same as defined in detailed description of the present invention. The organic light-emitting device having an organic layer comprising the condensed cyclic compound has a low driving voltage, high light emission efficiency and long lifespan.COPYRIGHT KIPO 2016

Embodiments of the invention are directed to a condensed-cyclic compound represented by Formula 1, and to an organic light-emitting device including the condensed-cyclic compound. The organic light-emitting device may include an organic layer containing the condensed-cyclic compound.

A new electron deficient unit, dimethyl-2H-benzimidazole (MBI), and dihydroindeno[2,1-a]indene (ININE) moiety as electron-rich unit were coupled to synthesize the conjugated polymers containing electron donor-acceptor pair for organic photovoltaics. ININE, MBI, and thiophene (or bithiophene) units were incorporated using Stille and Suzuki polymerization to generate poly(2,7-(5,5,10,10-tetrakis(2-ethylhexyl)-5,10-dihydro- indeno[2,1-a]indene)- alt-5,5-(4′,7′-di-2-thienyl-2,2-dimethyl-2H-benzimidazole)) (PININEDTMBIs) (or PININEBBTMBIs). In MBI, the sulfur at 2-position of 2,1,3-benzothiadiazole (BT) unit was replaced with dialkyl-substituted carbon, whereas keeping the 1,2-quinoid form, to improve the solubility of the polymers. The field-effect hole mobility of PININEBBTMBI was 3.2 × 10-4 cm2/Vs which was improved as compared to that of PININEDTMBI (2.7 × 10-5 cm2/Vs) caused by the introduction of bithiophene units. In case of the most efficient polymer, PININEBBTMBI, the device with the configuration of indium tin oxide (ITO)/poly(3,4- ethylenedioxythiophene) (PEDOT):polystyrene sulfonate (PSS)/polymer:PC 71BM(1:4 w/w)/Al, annealed at 100 C for 10 min demonstrated a open circuit voltage of 0.78 V, a short-circuit current density of 6.66 mA/cm 2, and a fill factor of 0.41, leading to the power conversion efficiency of 2.11%, under white-light illumination (AM 1.5 G, 100 mW/cm 2).

The electrochemical dicarboxylation of arylacetylenes with carbon dioxide could be smoothly achieved in an undivided cell using Ni as the cathode and Al as the anode with n-Bu4NBr-DMF as the supporting electrolyte, at a constant current under CO2 pressure of 3 MPa and room temperature in the absence of additional catalysts. The corresponding aryl-maleic anhydrides and 2-arylsuccinic acids were afforded in excellent total yields (82-94%). Under anhydrous conditions, an unsaturated aryl-maleic anhydride as the main product was obtained, while the presence of H2O would lead to the formation of saturated 2-arylsuccinic acids. The results of cyclic voltammetric experiments show that a nickel cathode itself plays the catalytic role in the reduction reaction of arylacetylenes with CO2.

The invention relates to transport molecule binding ligand compounds which comprise a therapeutically and/or diagnostically active substance and a carrier molecule-affine substance with a high association constant to the carrier molecule. The invention also relates to medicaments containing these ligand compounds and to diagnostic kits.

Electrochemical dicarboxylation of phenyl-substituted alkenes in the presence of atmospheric pressure of carbon dioxide with a platinum plate cathode and a magnesium rod anode readily took place efficiently in a DMF solution containing 0.1 M Et4NClO4 to give the corresponding 1,2-dicarboxylic acids in high yields.

Convenient methods of synthesis of racemic and optically pure 3,4- diphenylpyrrolidine derivatives, involving oxidative coupling of ethyl phenylacetate using TiCl4/Et3N and reduction of the dl-2,3-diphenylsuccinic acid or the corresponding cyclic imide with NaBH4/I2 reagent in crucial steps, are described.

Oxidative coupling of phenylacetic acid esters was easily achieved by treating the esters with TiCl4 and then adding Et3N to the resulting solution. The products consisted of dl- and meso-2,3-diphenylsuccinic acid esters with the Claisen condensation product, and the ratio of these products depended on the reaction conditions. Reaction conditions suitable for high dl selectivity were determined, and a dimer of titanium enolate was postulated as an intermediate responsible for the high dl selectivity. The selectivities were compared with those in known oxidative couplings in which titanium enolate intermediates are prepared through lithium enolates and silyl enol ethers. The results suggest that the reactivities of titanium enolates intermediates depend on how they are generated.

The pyrolysis of ethynylbenzene (C8H6, 1) was studied in a flow system between 700 and 1100 deg C (reaction time about 0.3 s) by using a mixture of 5 mol-percent of 1 in nitrogen and also in hydrogen at 700 deg C.The products were analyzed gas chromatogra

Investigations concerning the optical induction in asymmetric hydrogenation reactions confirm the stereochemical control function of mono- and di-substituents in seven-membered chelate ring diphosphines, whereby the bulkiness of substituents in the backbone of the ligands is reflected in higher enantioselectivities.

N,N'-Dialkyl-N,N'-diacylhydrazines are converted by the action of strong bases into N,N'-dialkylamides of threo-1,2-dicarboxylic acids.

Electrochemically reduced (Ni(bpy)3(BF4)2 catalyzes the reaction of carbon dioxide with disubstituted alkynes to yield mono-and di-carboxylated derivatives.The reaction is performed under mild conditions in an undivided cell fitted with a sacrificial magnesium anode.

A variety of racemic carboxylic acids have been for the first time directly resolved by normal-phase, high-performance liquid chromatography using a hexane-2-propanol eluting system containing a small amount (ca. 1percent) of a strong carboxylic acid, like formic acid, trichloroacetic acid, and trifluoroacetic acid.

The mechanism for oxidative dimerization of carboxylic acid dianions involves single electron transfer to iodine, producing an organic anion radical.Rearrangement of this species was observed with suitable substrates at a rate competitive with intermolecular reactions.The radical anion can dimerize or react with iodine.The iodide thus generated can be isolated (reaction with excess of iodine) or can participate in a polar SN2-type reaction sequence leading to dimeric products (reaction with 1/2 equiv of iodine).The interference by free amines (liberated during the metalation with lithium amides) is rationalized by the formation of a charge-transfer complex with iodine which decomposes, liberating protons.

The conditions, scope, and stereochemical consequences of a versatile approach to succinic acid derivatives are described.

Conventional flash kinetic spectroscopy has been used to determine rate constants (kobsd) for triplet energy transfer from indenoindene, a rigid model of trans-stilbene, to azulene as a function of temperature in n-pentane (228 - 290 K), toluene (228 - 309 K), acetonitrile (233 - 308 K), and tert-butyl alcohol (302 - 342 K).In toluene the plot of kobsd vs.T/η is linear with a slope somewhat smaller than predicted by the Debye equation for a diffusion-controlled process.In n-pentane the plot shows upward curvature, while in tert-butyl alcohol and in acetonitrile the T/η plots show downward curvature.The possibility that the downward curvature is due to deviation from a fully diffusion-controlled process is examined but rejected following a critical comparison of kobsd with recently reported termination rate constants for coupling and disproportionation of tert-butyl radicals, kt.The kobsd/kt ratios for the entire temperature and solvent range, 3.1 - 4.5, are consistent with the spin-statistical factor φ = 1/4, proposed as the sole deviation of kt from a fully diffusion-controlled rate constant.Empirically based truncated microfriction factors were used to correct diffusion coefficients in the nonhydroxylic solvents, and calculated values of φ-1, falling in the 3.5 - 5.0 range, were obtained that were indistinguishable from 4 within the experimental uncertainties of the measurements.It is concluded that excitation transfer is fully diffusion controlled under all conditions employed here and that, following an encounter between donor and acceptor, a probable lower limit for the rate constant of excitation transfer is ket (*) 2*1012 s-1.This result is compared with observations in the literature.Satisfactory adherence to the Arrhenius equation is observed in all four solvents and activation energies are similar to activation energies for viscous flow obtained from the temperature dependence of η using the Andrade equation.Entropies and enthalpies of activation, obtained by applying transition-state theory to kobsd and 4kt, obey a common isokinetic relationship, with β = 372 K as the isokinetic temperature.This isokinetic relationship is likely to apply to related diffusion-controlled reactions.Activation entropies, (*), are compared to cratic entropies, ΔSc, for the reversible formation of an encounter complex.Except for tert-butyl alcohol, where (*) ca. 0, (*) is roughly 4/3ΔSc reflecting more ordering in the transition state than in the fully formed encounter complex.