Sc(OTf)3 catalysed multicomponent synthesis of chromeno[2,3-d]pyrimidinetriones under solvent-free condition

An efficient, simple, and environmentally friendly synthesis of a series of chromeno[2,3-d]pyrimidine-trione derivatives has been accomplished via the three-component reaction of a barbituric acid, dimedone/cyclohexane-1,3-dione, and aromatic aldehydes using Sc(OTf)₃ as a recyclable catalyst under solvent-free condition. This method exploits the use of Sc(OTf)₃ as a Lewis acid catalyst in organic synthesis and offers many rewards such as excellent product yield and easy work-up procedure. Harmless reaction conditions, as well as the absence of side-products, are another green aspects of this protocol.     

Processes developed for the separation of europium (Eu) from various resources

Europium (Eu), one of the most significant rare earth (RE) elements, has wide applications as functional material in phosphor production, majorly used in fluorescent lamps, computer monitors, televisions etc. Eu is one of the three divalent lanthanides (along with Yb and Sm) having a reduction potential higher than ?2 V. This possibility of Eu reduction is attributed to a relatively stable half-filled 4f⁷ electronic configuration, thus providing a high stabilization energy and selective recovery. But the Eu recuperation from natural minerals is either accompanied with other REs or Eu is recovered as a group of light REs. Selective recovery of Eu has sparked the progress for its reutilization through recycling of secondary resources. The perspectives of reclaiming Eu as a value added product from various sources using different pyro-hydro or hybrid techniques are discussed. The systematic research and salient findings on methods, viz., reduction, leaching, solvent extraction, as well as combined methods scaled-up to commercial scale to recover Eu, are also reported with recommendations. Thus, this comparative as well as summarized review hopes to help researchers to develop feasible processes for Eu recovery.     

Vapor phase synthesis of phthalate esters from benzene and maleic anhydride over CrO3/magnesol and SO42-/ZrO2+

Benzene and maleic anhydride react over solid acids, viz. CrO₃/Magnesol and SO₄ ^2-/ZrO₂ catalysts to form phthalic anhydride and olefins, which in turn produce phthalate esters as end products. Based on the product distribution, a reaction pathway is proposed.     

Role of surface modification of colloidal CdSe quantum dots on the properties of hybrid organic–inorganic nanocomposites

In this work, tri-octyl phosphine/tri-octyl phosphine oxide (TOPO)-capped cadmium selenide (CdSe) quantum dots (QDs) of varied sizes (5–9 nm), prepared by varying the input Cd:Se precursor ratio using chemical route, were dispersed in conducting polymer matrices viz. poly[2-methoxy, 5-(2-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) and poly(3-hexylthiophene) (P3HT). By using a binary solvent mixture (pyridine–chloroform), homogeneous dispersion of CdSe nanocrystals in polymers (MEH-PPV, P3HT) could be realized. The properties of the resulting dispersions could be tailored by the composition and concentration of QDs in polymer. The emission and structural properties of polymer–CdSe nanocomposites are found to be dependent on the crystallite size and morphology of CdSe nanocrystallites. An effective quenching of photoluminescence emission in the polymer nanocomposite was observed for smaller CdSe quantum dots (size ∼6 nm) as compared to larger CdSe quantum dots (size ∼9 nm), thus ensuring efficient charge transfer process across the polymer–CdSe interface in the former case. The incomplete quenching, particularly for MEH-PPV:CdSe nanocomposites, could be as a result of insufficient coverage of polymers on the surface of CdSe nanocrystallites, mainly due to phase segregation for TOPO-stripped CdSe nanocrystallites. The superior morphology and optical properties of polymer nanocomposite (P3HT:CdSe QDs) could play a pivotal role for the realization of effective charge separation and transport in hybrid solar cells.     

Anion‐ and Spacer‐Directed Host–Guest Complexes of Bipyridine with Pyrogallol[4]arene

New oval‐shaped capsular and bilayer‐type hydrogen‐bonded arrangements of C‐propyl‐ol‐pyrogallol[4]arene (PgC3‐OH) with bipyridine‐type spacer complexes are reported here. These complexes are engineered by virtue of derivatization of C‐alkyl tails of pyrogallol[4]arene and the use of divergent spacer ligands. Complexes of PgC3‐OH, PgC3‐OH with bpy (4,4′‐bipyridine) and PgC3‐OH with bpa (1,2‐bis(4‐pyridyl)acetylene) have bilayer type arrangements; however, the use of hydrogen chloride causes protonation of bpy molecule, which is then entrapped flat within an offset oval‐shaped dimeric hydrogen‐bonded PgC3‐OH nanocapsule. The presence of chloride anion in the crystal lattice controls the geometry of the resultant nanoassembly.     

Bianchi types I and V bulk viscous fluid cosmological models in f(R,T) gravity theory

In this paper we present non-singular Bianchi types I and V cosmological models, in the presence of bulk viscous fluid and within the framework of f(R,T) gravity theory. Exact solutions to the field equations are obtained by choosing a particular form of the function f(R,T) and a special value for the average scale factor of the model, which corresponds to a time- dependent deceleration parameter. The cosmological models initially accelerate for a certain period of time and thereafter decelerate. The physical and kinematical properties of the models of the universe are discussed.     

Stability of stratified fluid in porous medium in the presence of suspended particles and variable magnetic field

General equations governing the stability of stratified fluid in a stratified porous medium in the presence of suspended particles and variable horizontal magnetic field, separately, have been derived. Assuming stratifications in density, viscosity, suspended particles number density, medium porosity, medium permeability and a magnetic field of exponential form the dispersion relations have been obtained. Systems have been found to be stable for stable stratifications and unstable for unstable stratifications. A system which was unstable in the absence of magnetic field can be completely stabilized by a magnetic field for a certain wave-number range. The behaviour of growth rates with respect to fluid viscosity, medium permeability, suspended particles number density and magnetic field has been examined analytically.     

A new formalism for the statistical dynamics of planar spin systems

The relaxational dynamics of a classical planar Heisenberg spin system is studied using the Fokker-Planck equation. A new approach is introduced in which we attempt to directly calculate the eigenvalues of the Fokker-Planck operator. In this connection a number space representation is introduced, which enables us to visualize the eigenvalue structure of the Fokker-Planck operator. The mean field approximation is derived and a systematic method to improve the mean field approximation is presented.     

Estimation of Ground-State and Singlet Excited-State Dipole Moments of Substituted Schiff Bases Containing Oxazolidin-2-one Moiety through Solvatochromic Methods

Absorption and fluorescence studies on novel Schiff bases (E)-4-(4-(4-nitro benzylideneamino)benzyl)oxazolidin-2-one (NBOA) and (E)-4-(4-(4-chlorobenzylidene amino)benzyl)oxazolidin-2-one (CBOA) were recorded in a series of twelve solvents upon increasing polarity at room temperature. Large Stokes shift indicates bathochromic fluorescence band for both the molecules. The photoluminescence properties of Schiff bases containing electron withdrawing and donating substituents were analyzed. Intramolecular charge transfer behavior can be studied based on the influence of different substituents in Schiff bases. Changes in position and intensity of absorption and fluorescence spectra are responsible for the stabilization of singlet excited-states of Schiff base molecules with different substituents, in polar solvents. This is attributed to the Intramolecular charge transfer (ICT) mechanism. In case of electron donating (?Cl) substituent, ICT contributes largely to positive solvatochromism when compared to electron withdrawing (?NO₂) substituent. Ground-state and singlet excited-state dipole moments of NBOA and CBOA were calculated experimentally using solvent polarity function approaches given by Lippert–Mataga, Bakhshiev, Kawskii-Chamma-Viallet and Reichardt. Due to considerable π- electron density redistribution, singlet excited-state dipole moment was found to be greater than ground-state dipole moment. Ground-state dipole moment value which was determined by quantum chemical method was used to estimate excited-state dipole moment using solvatochromic correlations. Kamlet-Abboud-Taft and Catalan multiple linear regression approaches were used to study non-specific solute-solvent interaction and hydrogen bonding interactions in detail. Optimized geometry and HOMO-LUMO energies of NBOA and CBOA have been determined by DFT and TD-DFT/PCM (B3LYP/6-311G (d, p)). Mulliken charges and molecular electrostatic potential have also been evaluated from DFT calculations.