One-pot synthesis of highly conjugated benzofuran derivatives based on electrochemical oxidation of benzenediols in the presence of dibenzoylmethane

Electrochemical oxidation of benzenediols (1--4) has been studied in the presence of dibenzoylmethane (5) as a nucleophile using cyclic voltammetry and controlled-potential coulometry. The results indicate that the electrochemically generated quinones participate in Michael addition reaction with 5 via various mechanisms to produce new benzofuran derivatives. We derived various products based on electrochemical oxidation in the controlled potential condition, at carbon electrode without toxic reagents in an undivided cell and ambient condition.     

Electroorganic synthesis of catecholthioethers

[reaction: see text] It is demonstrated that o-quinones, generated by the electrochemically driven oxidation of the catechols (1a-d) at physiological pH, are rapidly scavenged by 2-mercaptobenzoxazole (3) to give related catecholthioethers (4a-d) via an EC electrochemical mechanism pathway. The electrochemical syntheses of 4a-d have been successfully performed in one-pot in ambient conditions and in an undivided cell using an environmentally friendly method with high atom economy.     

Geometrothermodynamics of higher dimensional black holes

We study the thermodynamics and geometrothermodynamics of different black hole configurations in more than four spacetime dimensions. We use the response functions to find the conditions under which second order phase transitions occur in higher-dimensional static Reissner–Nordström and stationary Kerr black holes. Our results indicate that the equilibrium manifold of all these black hole configurations is in general curved and that curvature singularities appear exactly at those places where second order phase transitions occur.     

A novel method for non-destructive Compton scatter imaging based on the genetic algorithm

Compton scattering tomography is widely used in numerous applications such as biomedical imaging, nondestructive industrial testing and environmental survey, etc. This paper proposes the use of the genetic algorithm (GA), which utilizes bio-inspired mathematical models, to construct an image of the insides of a test object via the scattered photons, from a voxel within the object. A NaI(Tl) scintillation detector and a 185 MBq ¹³⁷Cs gamma ray source were used in the experimental measurements. The obtained results show that the proposed GA based method performs well in constructing images of objects.     

A facile and one-pot electrochemical method for the synthesis of a new anthraquinonethioether

The reaction of electrochemically generated anthradiquinone as a Michael acceptor with 2-mercaptobenzothiazole and 2- mercaptobenzoxazole,as nucleophiles in ethanol/water mixtures has been studied by means of cyclic voltammetry.Our voltammetric data indicate that produced anthradiquinone participates in Michael addition reaction with nucleophiles and via an ECEC mechanism converts to the new anthraquinonethioether derivatives.Based on an EC mechanism,the observed homogeneous rate constant of the Michael reaction of anthradiquinone with nucleophiles were estimated by comparing the experimental cyclic voltammograms with the digital simulated results.     

Structural and spectroscopic properties of trans-difluoro(1,4,8,12-tetraazacyclopentadecane)chromium(III) perchlorate hydrate

The structure of [CrF(2)([15]aneN(4))]ClO(4).H(2)O ([15]aneN(4)=1,4,8,12-tetraazacyclopentadecane) has been determined by a single-crystal X-ray diffraction study at 173 K. The complex crystallizes in the space group P1- of the triclinic system with two mononuclear formula units in a cell of dimensions a=9.6117(7) A, b=10.2882(7) A, c=11.0001(7) A and alpha=99.7570(10) degrees, beta=105.6080(10) degrees and gamma=113.7130(10) degrees. The complex cation unit has its central Cr atom in an octahedral coordination with four nitrogen atoms and two fluorine atoms in a trans position. Three six-membered and one five-membered chelate rings of the [15]aneN(4) ligand are in a chair-twist(skew)-chair-gauche conformation sequence. The gauche five-membered ring is disordered with the twist six-membered ring opposite. The four H atoms in the chiral N atoms have the trans-II (CTCg) type configuration. The mean Cr-N and Cr-F bonds are 2.095(2) and 1.8752(13) A, respectively. The IR and visible spectral properties are consistent with the result of X-ray crystallography. The resolved band maxima of the electronic d-d spectrum are fitted with secular determinant for quartet state energy of d(3) configuration in tetragonal field including configurational but neglecting spin-orbit coupling. It is confirmed that the fluoride has strong sigma- and pi-donor properties toward the chromium(III) ion and the nitrogen atoms of the [15]aneN(4) ligand also have a strong sigma-donor character.     

Computational modeling of porous medium inside a channel with homogeneous nanofluid

Journal of Thermal Analysis and Calorimetry - In the present study, the flow field and heat transfer have been simulated numerically inside a channel. The channel is under the constant heat flux....