Exact potential minimization for a supergravity model

The low energy effective scalar potential arising from the supergravity model proposed by Nilles, Srednicki and Wyler is minimized exactly. Bounds are derived for the parameters of the theory from the requirement that SU(2) × U(1) be broken at the tree level. These results support earlier approximate results.     

Alternative method of implementation of frequency encoded N bit comparator exploiting four wave mixing in semiconductor optical amplifiers

A frequency encoded all optical N bit comparator is proposed. The implementation is ultrafast one and the frequency encoding makes it intensity loss dependent problem free. The use of polarization insensitive four wave mixing makes the design polarization independent and the hardware simple. The frequency conversion by the RSOA makes the design faster compared to other SOA based design. The required gates, i.e. X-OR and AND gates for the implementation of the comparator in frequency encoded format are also discussed.     

Soluble and processable conjugated polyazines with oligo(p-phenylene vinylene)s

An efficient polycondensation reaction between α,ω-diformyl functional aromatics, namely 2,5-diheptyloxy-1,4-diformylbenzene and side-chain substituted α,ω-diformyl oligo(p-phenylene vinylene) (OPV) with hydrazine afforded novel soluble and processable conjugated polymers, P1 and P2, respectively. The reaction conditions were investigated and structural analysis of the polymers was carried out by means of ¹H, ¹³C, ¹⁵N NMR, indicating all-trans configured CN-NC linkages. The molecular weights M_n were observed at ∼1100-1400 g/mol for P1 and ∼8700-10,500 g/mol for P2. The optical properties showed absorption maxima at ∼455 nm and ∼487 nm for P1 and P2 (CHCl₃ solutions), respectively, red shifted by 31-60 nm relative to the monomer aromatics due to conjugation through the azine linkage. The emission maxima are observed at ∼515 nm and ∼560 nm for P1 and P2 (CHCl₃ solutions), respectively. Thin films of P2 readily undergo n-doping.     

Sn(iv) phosphonates as catalysts in solvent-free Baeyer-Villiger oxidations using H(2)O(2)

We have designed a new family of layered Sn(iv)phosphonate (SnPP) materials which are very efficient catalysts in the BV oxidation of aromatic aldehydes without any solvent and using aqueous H(2)O(2) (30%) as the oxidant.     

High-yield syntheses and reactivity studies of Fe10 "ferric wheels": structural, magnetic, and computational characterization of a star-shaped Fe8 complex

Convenient, high-yield routes have been developed to [Fe 10(OMe) 20(O 2CR) 10] ( 1) "ferric wheels" involving the alcoholysis of [Fe 3O(O 2CR) 6(H 2O) 3] (+) salts in MeOH in the presence of NEt 3. Reactivity studies have established [Fe 10(OMe) 20(O 2CMe) 10] ( 1a) to undergo clean carboxylate substitution with a variety of other RCO 2H groups to the corresponding [Fe 10(OMe) 20(O 2CR) 10] product. In contrast, the reaction with phenol causes a nuclearity change to give a smaller [Fe 8(OH) 4(OPh) 8(O 2CR) 12] ( 2) wheel. Similarly, reactions of [Fe 10(OMe) 20(O 2CR) 10] with the bidentate chelate ethylenediamine (en) cause a structural change to give either [Fe 8O 5(O 2CMe) 8(en) 8](ClO 4) 6 ( 3) or [Fe 2O(O 2CBu (t))(en) 4](NO 3) 3 ( 4), depending on conditions. Complex 3 possesses a "Christmas-star" Fe 8 topology comprising a central planar [Fe 4(mu 4-O)] (10+) square subunit edge-fused to four oxide-centered [Fe 3(mu 3-O)] (7+) triangular units. Variable-temperature, solid-state dc and ac magnetization studies on complexes 1a- 4 in the 5.0-300 K range established that all the complexes possess an S = 0 ground state. The magnetic susceptibility data for 4 were fit to the theoretical chi M versus T expression derived by the use of an isotropic Heisenberg spin Hamiltonian and the Van Vleck equation, and this revealed an antiferromagnetic exchange parameter with a value of J = -107.7(5) cm (-1). This value is consistent with that predicted by a previously published magnetostructural relationship. Theoretically computed values of the exchange constants in 3 were obtained with the ZILSH method, and the pattern of spin frustration within its core and the origin of its S = 0 ground state have been analyzed in detail.     

Ground and excited state proton transfer reaction of salicylidine-3,4,7-methyl amine in micelles

The effect of neutral, cationic and anionic micellar environments on the ground and excited state proton transfer reactions of salicylidine-3,4,7-methyl amine (SMA) in water has been studied by steady state and time resolved fluorescence spectroscopy. In the ground state, the formation of the primary form of SMA is enhanced at the expense of the zwitterionic species due to micellization. In the excited state, anion formation decreases both in the presence of Triton-X and cetyl trimethyl ammonium bromide (CTAB). However, in the presence of sodium dodecyl sulphate (SDS), the anionic emission increases after reaching a certain micellar concentration. The lifetime of the anion is significantly reduced in CTAB compared to that in the bulk water and also in the presence of Triton-X. It is proposed that the destabilization and modification of SMA anion occurs due to the different electrostatic environments produced by micellization.     

Microhydration of X2 gas (X = Cl, Br, and I): a theoretical study on X2.nH2O clusters (n = 1-8)

Structure and properties of hydrated clusters of halogen gas, X2.nH2O (X = Cl, Br, and I; n = 1-8) are presented following first principle based electronic structure theory, namely, BHHLYP density functional and second-order Moller-Plesset perturbation (MP2) methods. Several geometrical arrangements are considered as initial guess structures to look for the minimum energy equilibrium structures by applying the 6-311++G(d,p) set of the basis function. Results on X2-water clusters (X = Br and I) suggest that X2 exists as a charge separated ion pair, X+delta-X-delta in the hydrated clusters, X2.nH2O (n > or = 2). Though the optimized structures of Cl2.nH2O clusters look like X2.nH2O (X = Br and I) clusters, Cl2 does not exist as a charge separated ion pair in the presence of solvent water molecules. The calculated interaction energy between X2 and solvent water cluster increases from Cl2.nH2O to I2.nH2O clusters, suggesting solubility of gas-phase I2 in water to be a maximum among these three systems. Static and dynamic polarizabilities of hydrated X2 clusters, X2.nH2O, are calculated and observed to vary linearly with the size (n) of these water clusters with correlation coefficient >0.999. This suggests that the polarizability of the larger size hydrated clusters can be reliably predicted. Static and dynamic polarizabilities of these hydrated clusters grow exponentially with the frequency of an external applied field for a particular size (n) of hydrated cluster.     

Hydrophobic Shielding of Outer Surface: Enhancing the Chemical Stability of Metal–Organic Polyhedra

Metal–organic polyhedra (MOP) are a promising class of crystalline porous materials with multifarious potential applications. Although MOPs and metal–organic frameworks (MOFs) have similar potential in terms of their intrinsic porosities and physicochemical properties, the exploitation of carboxylate MOPs is still rudimentary because of the lack of systematic development addressing their chemical stability. Herein we describe the fabrication of chemically robust carboxylate MOPs via outer‐surface functionalization as an a priori methodology, to stabilize those MOPs system where metal–ligand bond is not so strong. Fine‐tuning of hydrophobic shielding is key to attaining chemical inertness with retention of the framework integrity over a wide range of pH values, in strong acidic conditions, and in oxidizing and reducing media. These results are further corroborated by molecular modelling studies. Owing to the unprecedented transition from instability to a chemically ultra‐stable regime using a rapid ambient‐temperature gram‐scale synthesis (within seconds), a prototype strategy towards chemically stable MOPs is reported.     

Structural analyses and magnetic properties of 3D coordination polymeric networks of nickel(II) maleate and manganese(II) adipate with the flexible 1,2-bis(4-pyridyl)ethane ligand

Two novel inorganic-organic hybrid 3D extended networks of Ni(II) and Mn(II) having molecular formulas [(maleate)(2)Ni(3)(bpe)(4)(H(2)O)(4)](NO(3))(2).H(2)O (1) and [(adipate)Mn(bpe)] (2) (bpe = 1, 2-bis(4-pyridyl)ethane), respectively, have been synthesized and characterized by single-crystal X-ray diffraction studies and low-temperature (300-2 K) magnetic measurements. Compound 1 crystallizes in the monoclinic system, space group C2/c (No. 15), with chemical formula C(56)H(62)N(10)Ni(3)O(19), a = 30.955(4) A, b = 12.705(3) A, c = 17.058(5) A, beta = 117.26(2) degrees, and Z = 4. Compound 2 crystallizes in the triclinic system, space group Ponemacr; (No. 2), with chemical formula C(18)H(20)MnN(2)O(4), a = 8.492(2) A, b = 9.444(2) A, c = 11.533(3) A, alpha = 97.19(1) degrees, beta = 94.64(1) degrees, gamma = 105.02(1) degrees, and Z = 2. The structure determination reveals for both a 3D network. Compound 1 contains two crystallographically independent Ni(II) ions in different octahedral environments. Ni(1) lies on an inversion center, and its coordination environment comprises two chelating maleate anions and two bpe nitrogen donors, while the Ni(2) ion is surrounded by meridionally disposed three bpe N atoms, two water molecules, and one oxygen donor from the dicarboxylate anion. Of the three crystallographic independent bpe ligand, one presents an anti and the others a gauche conformation. The corresponding N-to-N distances are 9.344, 6.543, and 6.187 A. Variable-temperature magnetic susceptibility measurement of the complex reveals the existence of a dominant ferromagnetic interaction within the molecule. Compound 2 is composed of Mn(2) dimer units linked by adipate anions to form corrugated 2D sheets which, on interconnection through bpe (anti conformation, N-to-N distance of 9.391 A), produces an interpenetrated 3D alpha-polonium-related type net. Complex 2 reveals to be antiferromagnetic fitting data using a dimeric Mn(II) model that considers negligible magnetic transmission through the carbon skeleton of adipate and the bpe pathway.