1H-4,1,2-Benzothiadiazines from 1,2,3-Benzothiadiazole via Alkylbenzothiadiazolium Salts: A Novel Heterocyclic Ring Expansion Possibly via Nitrogen Ylides.

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On Computation of Minimum Distance of Linear Block Codes Above 1/2 Rate Coding

The minimum distance of linear block codes is one of the important parameter that indicates the error performance of the code. When the code rate is less than 1/2, efficient algorithms are available for finding minimum distance using the concept of information sets. When the code rate is greater than 1/2, only one information set is available and efficiency suffers. In this paper, we investigate and propose a novel algorithm to find the minimum distance of linear block codes with the code rate greater than 1/2. We propose to reverse the roles of information set and parity set to get virtually another information set to improve the efficiency. This method is 67.7 times faster than the minimum distance algorithm implemented in MAGMA Computational Algebra System for a (80, 45) linear block code.

Bound states of two spin-1/2 fermions in a synthetic non-Abelian gauge field

We study the bound states of two spin-1/2 fermions interacting via a contact attraction (characterized by a scattering length) in the singlet channel in three-dimensional space in presence of a uniform non-Abelian gauge field. The configuration of the gauge field that generates a Rashba-type spin-orbit interaction is described by three coupling parameters (lambda(x),lambda(y),lambda(z)). For a generic gauge field configuration, the critical scattering length required for the formation of a bound state is negative, i.e., shifts to the ``BCS side'' of the resonance. Interestingly, we find that there are special high-symmetry configurations (e.g., lambda(x) = lambda(y) = lambda(z)) for which there is a two-body bound state for any scattering length however small and negative. Remarkably, the bound-state wave functions obtained for such configurations have nematic spin structure similar to those found in liquid He-3. Our results show that the BCS-BEC (Bose-Einstein condensation) crossover is drastically affected by the presence of a non-Abelian gauge field. We discuss possible experimental signatures of our findings both at high and low temperatures.

Dynamics of I-asterisk(P-2(1/2)) production inthe ultraviolet photodissociation of alkyn iodides

The relative quantum yields, phi*, for the production of I*(P-2(1/2)) at 266, 280, and similar to 305 nm are reported for a series of primary alkyl iodides using the technique of two-photon laser-induced fluorescence for the detection of I(P-2(3/2)) and I*(P-2(1/2)) atoms. Results are analyzed by invoking the impulsive energy disposal model, which summarizes the dynamics of dissociation as a single parameter. Comparison of our data with those calculated by a more sophisticated time-dependent quantum mechanical model is also made. Near the red edge of the alkyl iodide A band, absorption contribution from the (3)Q(1) state is important and the dynamics near the (3)Q(0)-(1)Q(1) curve-crossing region seem to be influenced by the kinematics of the dissociation process

Isomerisation of 1-methylene-2-methyl-2-(2-oxopropyl)-cyclohexanes to 2-methylene-1-methyl-1-(2-oxopropyl)-cyclohexanes by ene and retro-ene reaction

Thermal activation of the normal Claisen products, the enones 4 7 and 14 in the presence of a catalytic amount of propionic acid generated the isomeric enones 6 9 and 15 via the sequential intramolecular ene-reaction of the enol tautomer followed by 1,5-hydrogen transfer (or retro ene-reaction) of the resultant acetyl cyclopropane intermediate. conversion of the enones 9 and 15 into the corresponding cyclohexenones 10 and 16 established the structures of the rearrangement products.

Study of the reaction between 1,2,3-trihydroxybenzene and 8-hydroxyquinoline in the solid state

1.2,3-Trihydroxybenzene (THB) reacts with 8-hydroxyquinoline (8HQ) in the solid state forming an orange-coloured charge transfer complex THB* (8HQ)(2). When the reaction was carried out in a petri dish, or when the vapours of 8HQ were allowed to react with solid THB (gravimetric study), the reaction product separated out as good quality, shiny single crystals. X-Ray diffraction studies on single crystals showed that they belong to the orthorhombic system with a = 15.408(1), b = 16.276(1), c = 7.825(1) Angstrom, Z = 4, D-x = 1.413 g cm(-3) and space group Pnaa. From the crystallographic evidence it has been found that the proton of the middle OH group of THB is transferred to the N atom of 8HQ. This accounts for the observed colour change. Kinetic studies on the solid state reaction showed that the 8HQ molecules diffuse towards THB, and the lateral diffusion occurs through surface migration, grain boundary diffusion and vapour phase diffusion. Gravimetric studies of the reaction between solid THB and 8HQ vapour showed that the diffusion of 8HQ molecules into the crystal lattice of THB has a higher energy of activation than that observed when the reactants are in contact. The nature of the crystal packing in the reaction product indicates diffusion of 8HQ molecules into the crystal lattice of THB along the c-axis, to occupy the cavities present between the THB molecules in the unit cell.

8-(3-methylphenoxy)-16H-dinaphtho[2,1-d;1',2'-g][1,3,2]dioxaphosphocine 8-oxide

In the title compound, C28H21O4P, the eight-membered heterocyclic dioxaphosphocine ring has a distorted boat conformation, with the phosphoryl O atom axial and the phenoxy group equatorial. The P=O distance is 1.451 (1) Angstrom and the average length of the three P-O bonds is 1.573 (1) Angstrom. The phenyl ring is nearly perpendicular to both naphthalene planes, making dihedral angles of 91.30 (3) and 97.65 (5)degrees with them. The angle between the two naphthalene planes is 67.73 (3)degrees. The crystal structure is stabilized by van der Waals interactions.

(+/-)-cis-Dichloro[P-(isopropylamino)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) dichloromethane solvate

In the racemic title compound, [PtCl2(C23H20NO2P)-(C6H15P)].CH2Cl2, the platinum(II) ion, which has approximately square-planar coordination geometry, is coordinated to two different monophosphorus ligands in a cis arrangement along with two chloride ions. A significant shortening of the P-N bond [1.604(7) Angstrom] relative to that in phosphinoamines and their complexes was observed.

Reduction of quinolines to 1,2,3,4-tetrahydro derivatives employing a combination of NaCNBH3 and BF3.OEt(2)

A regiospecific reduction of quinolines (and 1,10-phenanthroline) into the corresponding 1,2,3,4-tetrahydro derivatives using a combination of sodium cyanoborohydride and boron trifluoride etherate in refluxing methanol is described. Under the same conditions indole and acridine reduced to the corresponding dihydroderivatives, whereas acyl group transfer from oxygen to nitrogen atom is also noticed in the case of 8-acyloxyquinolines.

Density-matrix renormalization-group studies of the spin-1/2 Heisenberg system with dimerization and frustration

Using the density-matrix renormalization-group technique, we study the ground-state phase diagram and other low-energy properties of an isotropic antiferromagnetic spin-1/2 chain with both dimerization and frustration, i.e., an alternation delta of the nearest-neighbor exchanges and a next-nearest-neighbor exchange J(2). For delta = 0, the system is gapless for J(2) < J(2c) and has a gap for J(2) > J(2c) where J(2c) is about 0.241. For J(2) = J(2c) the gap above the ground state grows as delta to the power 0.667 +/- 0.001. In the J(2)-delta plane, there is a disorder line 2J(2) + delta = 1. To the left of this line, the peak in the static structure factor S(q) is at q(max) = pi (Neel phase), while to the right of the line, q(max) decreases from pi to pi/2 as J(2) is increased to large values (spiral phase). For delta = 1, the system is equivalent to two coupled chains as on a ladder and it is gapped for all values of the interchain coupling.

Interesting reaction of 2,2 '-binaphthol with 1,2-dibromoethane: Synthesis of a novel spirodienone

2,2'-Binaphthol 1 reacts with 1,2 dibromoethane in the presence of potassium carbonate to give rise to a novel spirodienone system 3 and its structure has been confirmed by X-ray analysis.

Is O-1(2) alone sufficient for DNA cleavage? Possible involvement of paramagnetic intermediates

It is proposed that singlet dioxygen reacting with guanosine or deoxyguanosine part of nucleotides does not, by itself, cause DNA cleavage. The strand break originates at the endoperoxide stage whenever this link evolves into a O-centered radical. The O-centered radical is then in a good spatial position to abstract an hydrogen intramolecularly from the ribose or desoxyribose part of the nucleotide. The carbon centered radical thus formed on the sugar part may lead to strand break either by a p-scission mechanism or by an homolytically induced solvolysis. High pH could also induce cleavage after the endoperoxide stage via a base catalyzed ring chain protomerism.

Magneto-structural correlation in (mu-alkoxo/hydroxo)(mu-carboxylato)dicopper(II) systems: Synthesis, X-ray structure and magnetic properties of aquo(mu-hydroxo) (mu-arylcarboxylato)bis(N,N,N ',N '-tetramethylethane-1,2-diamine)dicopper(II) diperchlorate

Asymmetrically dibridged dicopper(II) complexes, [Cu-2(OH)(O2CC6H4-p-Me)(tmen)(2)(H2O)](ClO4)(2) (1) and [Cu-2(OH)(O2CC6H4-p-OMe)(tmen)(2)(H2O)](ClO4)(2) (2) (tmen = N,N,N',N'-tetramethylethane-1,2-diamine), were prepared and structurally characterized. Complex 1 crystallizes in the monoclinic space group P2(1)/a with a = 17.718(2), b = 9.869(1), c = 19.677(2) Angstrom, beta = 115.16(1)degrees, V = 3114.3(6) Angstrom(3) and Z = 4. The structure was refined to R(wR(2)) = 0.067(0.178). Complex 2 crystallizes in the monoclinic space group P2(1)/a with a = 17.695(3), b = 9.574(4), c = 20.104(2) Angstrom, beta = 114.18(1)degrees, V = 3107(1) Angstrom(3) and Z = 4. The final residuals are R(wR(2)) = 0.067(0.182). The complexes have a [Cu-2(mu-OH)(mu-OH)(mu-O2CAr)](2+) core with tmen Ligands occupying the terminal sites of the core. In addition, one copper is axially bound to a water molecule. The Cu ... Cu distances and the Cu-OH Cu angles in the core are 3.394(1) Angstrom, 124.4(2)degrees for 1 and 3.374(1) Angstrom, 123.3(3)degrees for 2. The complexes show axial X-band EPR spectral features in methanol glass at 77 K giving g(perpendicular to) = 2.02, g(parallel to) = 2.3 (A(parallel to) = 165 x 10(-4) cm(-1)) and a visible band near similar to 630 nm in methanol. The complexes are weakly antiferromagnetic. A theoretical fit of the magnetic susceptibility data in the temperature range 40-295 K gives -J = 10 cm(-1), g = 2.05 for 1 and -J = 10 cm(-1), g = 2.0 for 2. Plots of -2J versus the Cu-OH-Cu angle (phi) in this class of asymmetrically dibridged dicopper(II) complexes having d(x2-y2)-d(x2-y2) magnetic orbitals show a linear magneto-structural correlation: -2J(cm(-1)) = 11.48 phi(deg) - 1373.

Oxidative addition of tetrachloro-1,2-benzoquinone to lambda(3)-cyclotriphosphazanes. An unusual ring contraction-rearrangement

The lambda(3)-cyclotriphosphazanes, [EtNP(OR)](3) [R = 2,6-Me2C6H3 (1), 4-BrC6H4 (2), or CH2CF3(3)], on treatment with tetrachloro-1,2-benzoquinone (TCB) give the lambda(5)-cyclodiphosphazanes, [EtNP(O2C6Cl4)(OR)][EtNP(O2C6Cl4){N(Et)P(OR)(2)}] (5-7) by an unusual ring contraction-rearrangement. The reaction of the mixed substituent lambda(3)-cyclotriphosphazane, [(EtN)(3)P-3(OR)(2)(OR')] [R = 2,6-Me2C6H3, R' = 4-BrC6H4] (4), with TCB gives the lambda(5)-cyclodiphosphazane, [EtNP(O2C6Cl4)(OR')][EtNP(O2C6Cl4){N(Et)P(OR)(2)}] (8), in which 4-bromophenoxide resides on one of the ring phosphorus atoms. The lambda(3)-bicyclic tetraphosphapentazane, (EtN)(5)P-4(OPh)(2), on treatment with TCB undergoes a double ring contraction-rearrangement to give the lambda(5)-cyclodiphosphazane, (EtN)[(EtN)(2)P-2(O2C6Cl4)(2)(OPh)](2) (9). Variable-temperature and high-field P-31 NMR studies indicate the presence of more than one isomer in solution for the rearranged products 5-9. The solid state structure of 8 reveals a trans arrangement of the substituents with respect to the P2N2 ring in contrast to the gauche arrangement observed for 5.

Performance and scaling of a 1.2 V/1.5 Ah nickel/metal hydride cell to a 6 V/1.5 Ah battery

A 1.2 V/1.5 Ah positive-limited nickel/metal hydride cell has been studied to determine its charge-discharge characteristics at different rates in conjunction with its AC impedance data. The faradaic efficiency of the cell is found to be maximum at similar to 70% charge input. The cell has been scaled to a 6 V/1.5 Ah battery. The cycle-life data on the battery suggest that it can sustain a prolonged charge-discharge schedule with little deterioration in its performance.