Higher order antibunching in intermediate states

Since the introduction of binomial state as an intermediate state, different intermediate states have been proposed. Different nonclassical effects have also been reported in these intermediate states. But till now higher order antibunching is predicted in only one type of intermediate state, which is known as shadowed negative binomial state. Recently we have shown that the higher order antibunching is not a rare phenomenon [P. Gupta, P. Pandey, A. Pathak, J. Phys. B 39 (2006) 1137]. To establish our earlier claim further, here we have shown that the higher order antibunching can be seen in different intermediate states, such as binomial state, reciprocal binomial state, hypergeometric state, generalized binomial state, negative binomial state and photon added coherent state. We have studied the possibility of observing the higher order subpoissonian photon statistics in different limits of intermediate states. The effects of different control parameters on the depth of non classicality have also been studied in this connection and it has been shown that the depth of nonclassicality can be tuned by controlling various physical parameters.     

A polymerization-depolymerization model for generation of contractile force during bacterial cell division

We have investigated the pressure-induced phase transition of NiO and other structural properties using three-body potential approach. NiO undergoes phase transition from B1 (rocksalt) to B2 (CsCl) structure associated with a sudden collapse in volume showing first-order phase transition. A theoretical study of high pressure phase transition and elastic behaviour in transition metal compounds using a three-body potential caused by the electron shell deformation of the overlapping ion was carried out. The phase transition pressure and other properties predicted by our model is closer to the phase transition pressure predicted by Eto et al.      

Characterization of cyclo-polyphenacenes

Cyclo-polyphenacenes belt-type compounds are considered here in terms of some simple chemico-graph-theoretic invariants. First the compounds of this group are neatly encoded in an unambiguous way. Then all the isomers in this system are categorized with respect to their "combinatorial curvature", and for the case of the 52 cyclo-hexaphenacenes it is found to correlate with steric stresses. A systematic effort is made to correlate the reactivity (via additive oxidation) of the various isomers with their Kekule-structure counts.     

Heteropolyacids aided rapid and convenient syntheses of highly ordered MCM-41 and MCM-48: exploring the accelerated process by 29Si MAS NMR and powder X-ray diffraction studies

A rapid and convenient route is described for the synthesis of mesoporous MCM-41 and MCM-48 materials using heteropolyacids as novel promoters, and a probable mechanism for the rapid nucleation is proposed based on HSAB theory.     

Pyrene Carboxylate Ligand Based Coordination Polymers for Microwave-Assisted Solvent-Free Cyanosilylation of Aldehydes

The new coordination polymers (CPs) [Zn(μ-1κO¹:1κO²-L)(H₂O)₂]_n·n(H₂O) (1) and [Cd(μ₄-1κO¹O²:2κN:3,4κO³-L)(H₂O)]_n·n(H₂O) (2) are reported, being prepared by the solvothermal reactions of 5-{(pyren-4-ylmethyl)amino}isophthalic acid (H₂L) with Zn(NO₃)₂.6H₂O or Cd(NO₃)₂.4H₂O, respectively. They were synthesized in a basic ethanolic medium or a DMF:H₂O mixture, respectively. These compounds were characterized by single-crystal X-ray diffraction, FTIR spectroscopy, thermogravimetric and elemental analysis. The single-crystal X-ray diffraction analysis revealed that compound 1 is a one dimensional linear coordination polymer, whereas 2 presents a two dimensional network. In both compounds, the coordinating ligand (L²⁻) is twisted due to the rotation of the pyrene ring around the CH₂-NH bond. In compound 1, the Zn(II) metal ion has a tetrahedral geometry, whereas, in 2, the dinuclear [Cd₂(COO)₂] moiety acts as a secondary building unit and the Cd(II) ion possesses a distorted octahedral geometry. Recently, several CPs have been explored for the cyanosilylation reaction under conventional conditions, but microwave-assisted cyanosilylation of aldehydes catalyzed by CPs has not yet been well studied. Thus, we have tested the solvent-free microwave-assisted cyanosilylation reactions of different aldehydes, with trimethylsilyl cyanide, using our synthesized compounds, which behave as highly active heterogeneous catalysts. The coordination polymer 1 is more effective than 2, conceivably due to the higher Lewis acidity of the Zn(II) than the Cd(II) center and to a higher accessibility of the metal centers in the former framework. We have also checked the heterogeneity and recyclability of these coordination polymers, showing that they remain active at least after four recyclings.     

Isolation,structural elucidation and cytotoxicity evaluation of a new pentahydroxy-pimarane diterpenoid along with other chemical constituents from Aerva lanata

Aervalanata possesses various useful medicinal and pharmaceutical activities. Phytochemical investigation of the plant has now led to the isolation of a new 2α,3α,15,16,19-pentahydroxy pimar-8(14)-ene diterpenoid (1) together with 12 other known compounds identified as β-sitosterol (2), β-sitosterol-3-O-β-D-glucoside (3), canthin-6-one (4), 10-hydroxycanthin-6-one (aervine, 5), 10-methoxycanthin-6-one (methylaervine, 6), β-carboline-1-propionic acid (7), 1-O-β-D-glucopyranosyl-(2S,3R,8E)-2-[(2′R)-2-hydroxylpalmitoylamino]-8-octadecene-1,3-diol (8), 1-O-(β-D-glucopyranosyl)-(2S,3S,4R,8Z)-2-[(2′R)-2′-hydroxytetracosanoylamino]-8(Z)-octadene-1,3,4-triol (9), (2S,3S,4R,10E)-2-[(2′R)-2′-hydroxytetracosanoylamino]-10-octadecene-1,3,4-triol (10), 6′-O-(4″-hydroxy-trans-cinnamoyl)-kaempferol-3-O-β-D-glucopyranoside (tribuloside, 11), 3-cinnamoyltribuloside (12) and sulfonoquinovosyldiacylglyceride (13). Among these, six compounds (8–13) are reported for the first time from this plant. Cytotoxicity evaluation of the compounds against five cancer cell lines (CHO, HepG2, HeLa, A-431 and MCF-7) shows promising IC₅₀ values for compounds 4, 6 and 12.     

Synthesis and characterisation of dinuclear and mononuclear Cobalt (II) benzoate complexes

Aqua-bridged binuclear cobalt (II) benzoate complexes having pyridine as auxiliary ligands are synthesised through solid state reactions and characterised. The binuclear core in these complexes comprise of two bridging benzoates and an aqua bridge. Each of the cobalt (II) centre is further co-ordinated to one benzoate and two pyridine ligands. The aqua-bridged cobalt (II) benzoate complex [Co₂(μ-H₂O)(μ-OBz)₂(OBz)₂(Py)₄] ·  (C₆H₆)(BzOH) (1a) is inclusion compounds with benzoic acid and benzene (where OBz  =  benzoate, py  =  pyridine). Analogous complex [Co₂(μ-H₂O)(μ-OBz)₂(OBz)₂(Py)₄] · 1.5(C₆H₆) without benzoic acid included is also prepared by an alternative method and structurally characterised. Analogous aqua-bridged complex derived from p-chlorobenzoic acid in unsolvated form is characterised. The Co–O–Co separation in these complexes is in the range of 3.55–3.64 Å with angles Co–O–Co varying from 111.8° to 116.4°. While similar reaction in solution leads to the formation of mononuclear complex having composition [Co(OBz)₂(Py)₂(H₂O)]. The unsubstituted benzoate complex 1a can be easily oxidised to form a tetrameric cobalt (III) complex having benzoate and oxo-bridged structure with a Co₄O₄ core.     

A DFT study on the magnetostructural property of ferromagnetic heteroverdazyl diradicals with phenylene coupler

We have theoretically designed five different m-phenylene coupled high-spin bis-heteroverdazyl diradicals and their analogous p-phenylene coupled low-spin positional isomers. The geometry-based aromaticity index, harmonic oscillator model of aromaticity (HOMA) values for both the couplers (local HOMA), and the whole diradicals (global HOMA) have been calculated for all the diradicals. We also qualitatively relate these HOMA values with the intramolecular magnetic exchange coupling constants (J), calculated using a broken symmetry approach within unrestricted density functional theory framework. Structural aromaticity index HOMA of linkage specific benzene rings in our designed diradical systems shows that the aromatic character depends on the planarity of the molecule and it controls the sign and magnitude of J. The predicted J values are explained on the basis of spin polarization maps, average dihedral angles, and magnetic orbitals. The effect of the spin leakage phenomenon on magnetic exchange coupling constant and that on HOMA values of certain phosphaverdazyl systems has been explicitly discussed. In addition, a similar comparison is made between the calculated exchange coupling constants and corresponding HOMA values. The main novelty of this work stands on the consideration of the aromatic behavior by means of the geometrical index HOMA. We also estimate another aromaticity index, nucleus independent chemical shift (NICS) values for the phenylene coupler in each diradical to measure aromaticity and compare its value with that of HOMA. The ground state stabilities of these diradicals have also been compared.