Unified reciprocity of dithiophosphate by dichalcogenophosph(in)ate ligands on copper hydride nanoclusters via ligand exchange reaction

A structural study of ligand exchange on chalcogen‐passivated copper nanoclusters is far less developed. Herein, we report the synthesis of polyhydrido copper nanoclusters [Cu₂₀H₁₁{Se₂P(O ⁱBu)₂}₉] ( 2 ) passivated by Se‐donor ligands via ligand replacement reaction on [Cu₂₀H₁₁{S₂P(O ⁱPr)₂}₉] ( 1 ) with NH₄[Se₂P(O ⁱBu)₂]. In parallel to the synthesis of 2 , cluster [Cu₂₀H₁₁{S₂P(CH₂CH₂Ph)₂}₉] ( 4 ) was produced by the ligand exchange reaction on a new derivative of 1 , that is [Cu₂₀H₁₁{S₂P(O ⁿPr)₂}₉] ( 3 ). Solid state structures of both clusters 2 and 4 were unequivocally established by single‐crystal X‐ray diffraction studies and cluster 4 epitomizes exceptional case to preserve both the shape and size of the nanocluster during the course of ligand exchange. Structurally precise cluster 2 is the second example where the copper hydride nanocluster is stabilized by Se‐donor ligands. The anatomy of 2 can be visualized as a twisted cuboctahedral Cu₁₃ core, two triangular faces of which are capped by a Cu₆ cupola and a single Cu atom along the C₃ rotational axis.     

A pyrazole-based orthogonal ferromagnetically coupled [2 × 2] homoleptic square Cu4 grid: Magnetostructural correlations

The synthesis and structure of a pyrazole-based orthogonal ferromagnetically coupled tetracopper(II) 2 × 2 homoleptic grid complex [Cu₄(PzOAPyz)₄(ClO₄)₂](ClO₄)₂ · 6H₂O (1), formed by the reaction between the ditopic ligand PzOAPyz and Cu(ClO₄)₂ · 6H₂O, are described. The ligand contains terminal pyrazole and pyrazine residues bound to a central flexible diazine subunit (N–N) as well as one potentially bridging alkoxo group. The two adjacent metal centers are linked by an alkoxo oxygen forming essentially a square Cu₄(μ-O₄) cluster. In the Cu₄(μ-O₄) core, out of the four copper centers, two copper centers are penta-coordinated and the remaining two are hexa-coordinated. In each case of hexa-coordination, the sixth position is occupied by one of the oxygen atoms of a coordinated perchlorate ion. Complex 1 has been characterized structurally and magnetically. Although the large Cu–O–Cu bridge angles (137–138°) and short Cu–Cu distances (3.964–3.970 Å) are suitable for the transmission of the expected antiferromagnetic coupling, the square-based Cu₄(μ-O₄) cluster exhibits an intramolecular ferromagnetic exchange (J = 7.47 cm⁻¹) between the metal centers with an S = 2 magnetic ground state associated with the quasi orthogonal arrangement of the magnetic orbitals (d_x2-y2${\text{d}}_{x^2-y^2}$). The exchange pathway parameters have been evaluated from density functional calculations.     

Magnetic moments of decuplet baryons in an independent particle potential model

Magnetic moments of decuplet baryons have been calculated in a relativistic independent quark model with a phenomenological potential in equally mixed scalar-vector harmonic form. Such a model has been successful in describing wide ranging hadronic phenomena in mesonic and baryonic sectors. Using the solutions of the constituent quark orbitals with the model parameters taken from its earlier applications, the magnetic moments of decuplet baryons Δ⁺⁺ and Ω⁻ have been obtained which are in good agreement with the available experimental data. However, the agreement is found to be much better when the magnetic moment ratios such as μ_δ++/μ _p and μ_Ω-/μ_Λ are considered. Model predictions for the magnetic moments of other decuplet baryons together with the charge radii have also been calculated which may be verified in future experiments.     

Weak decay constants of light and heavy pseudoscalar mesons

We investigate the weak leptonic decays of light and heavy pseudoscalar mesons in a relativistic quark model of independent quarks. We perform a static calculation of the decay constantf _M purely on grounds of simplicity. In order to minimize the possible uncertainty in the static calculation, we estimate the ratios of the decay constants which are found to be in good agreement, in the heavy flavor sector, with the predictions of other models available in the literature and existing experimental data. However, there is a noticeable discrepancy in the current prediction for pion decay constant which demonstrates the inherent limitations of the static approximation in the study of non-strange light mesons.     

Metal complexes of pyrimidine derived ligands – Syntheses,characterization and X-ray crystal structures of Ni(II), Co(III) and Fe(III) complexes of Schiff base ligands derived from S-methyl/S-benzyl dithiocarbazate and 2-S-methylmercapto-6-methylpyrimidine-4-carbaldehyde

Two new pyrimidine based NNS tridentate Schiff base ligands S-methyl-3-((2-S-methyl-6-methyl-4-pyrimidyl)methyl)dithiocarbazate [HL₁] and S-benzyl-3-((2-S-methyl-6-methyl-4-pyrimidyl)methyl)dithiocarbazate [HL₂] have been synthesised by the 1:1 condensation of 2-S-methylmercapto-6-methylpyrimidine-4-carbaldehyde and S-methyl/S-benzyl dithiocarbazate. A Ni(II) complex of HL₁ and Co(III) and Fe(III) complexes of HL₂ have been prepared and characterized by elemental analyses, molar conductivities, magnetic susceptibilities and spectroscopic studies. All the bis-chelate complexes have a distorted octahedral arrangement with an N₄S₂ chromophore around the central metal ion. Each ligand molecule binds the metal ion using the pyrimidyl and azomethine nitrogen and thiolato sulfur atoms (except in the nickel complex, one ligand molecule uses the thione sulfur in lieu of thiolato sulfur atom). In the Ni(II) complex, one of the ligand molecules behaves as a neutral tridentate and the other molecule functions as a uninegative tridentate, whereas in the Co(III) and Fe(III) complexes, the ligand molecules behave as monoanionic tridentate. All the complexes were analyzed by single crystal X-ray diffraction and significant differences concerning the distortion from an octahedral geometry of the coordination environment were observed.     

The(q\bar q) - pion and its decay constant in a chiral potential modeland its decay constant in a chiral potential model

Pion mass and its decay constant have been studied in a chiral symmetric potential model of independent quarks. The non-perturbative multi-gluon interaction which is responsible for quark confinement in a hadron is phenomenologically represented here by an effective potentialU(r) = 1/2(1 +γ ⁰)(ar ² +V ₀). The residual interactions due to quark-pion coupling arising out of the chiral symmetry preservation and that due to quark-gluon coupling arising out of single-gluon exchange are treated as low order perturbations. The centre of mass correction is also taken into account appropriately. This leads to the mass in consistency with that of the PCAC-pion and the pion decay constant in reasonable agreement with experiment.     

Biological conversion of coal gas to methane

Biological conversion of low-Btu coal synthesis gas to higher Btu methane was demonstrated using both pure co-cultures and/or adapted-mixed anaerobic bacteria.Peptostreptococcus productus metabolized coal gas to mainly acetate and CO₂. The co-cultures containing methanogens converted these products to methane. In mixed culture studies, CH₄ and small amounts of acetate were produced. Reactor studies using stirred-tank and immobilized cell reactors exhibited excellent potential to convert CO, CO₂ and H₂ to methane at higher gas flow rates. Gas retention times ranging from 0.7 to 2 hours and high agitation were required for 90 percent CO conversion in these systems. This paper also illustrates the potential of biological methanation and demonstrates the need for good mass transfer in converting gas phase substrates.     

Selective functionalization of ferrocenyl compounds using a novel solvent free synthetic method for the preparation of bioactive unsymmetrical ferrocenyl derivatives

A novel solvent free synthetic method has been designed by using rice husk ash (RHA) as solid support for the selective functionalization of ferrocenyl derivatives and described the synthesis of a 1,1′‐unsymmetrically bi‐functionalized ferrocenyl compounds for their biological evaluation. Single crystal X‐ray structural evaluation showed some interesting intra‐molecular hydrogen bonding interactions across the chains of the ferrocenyl molecule, while DFT calculation revealed the significance of the orientation between the two cyclopentadienyl rings for the hydrogen bonding interaction. Redox and antibacterial properties have been studied to understand the electronic and biological effect of different hydrazone system and their potential for future application.     

Numerical modelling of a direct current non-transferred thermal plasma torch for optimal performance

A laminar steady-state 2D axisymmetric model of a direct current (DC) thermal plasma torch using a magneto-hydrodynamic approach has been developed. The model takes into account the entire torch system comprising the plasma gas injection, the inner region of the torch, and the jet exiting into the ambient environment. Numerical results are obtained for two different power inputs chosen from published experimental data. The temperature predictions at the torch exit are found in good agreement with experimental results. Velocity analysis of the plasma jet has been presented and the impact of electromagnetic force on jet velocity is analysed. The Lorentz force arising due to the coupling of fluid motion and electromagnetic forces shoots up the jet velocity to significantly high values near the cathode tip. Temperature and velocity profiles are in good agreement with the characteristics of a long laminar plasma jet. An operating value of heat transfer coefficient (h) has been suggested for optimal torch operation, thus ensuring a low anode erosion rate and acceptable thermal efficiency. The argon torch has the maximum temperature and longest jet length among the plasma gases considered.