Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity

The structures of a series of spherical host-guest complexes [{MeE(PPh)(3)Li(4)·3thf}(4)(μ(4)-X)](-) (E = Al, [1X](-); E = Ga, [2X](-); E = In, [3X](-)) reveal that changing the halide ions (X = Cl, Br, or I) within their central tetrahedral Li(4) sites has negligible effect on the structural parameters.     

The Ontological Argument in the Tractatus

The intention of this article is to show that the Tractatus deals with the problem of the relation between reality, possibility, and necessity as traditionally considered in the ontological argument, that is, in relation to the idea of limit, and that in Section 5.5521, we find an especially clarifying formulation of this question; the formulation itself, however, is not at all clear, so that a lengthy commentary of it is justified.     

Synthesis of 4-methoxy-1H-phenalen-1-one: a subunit related to natural phenalenone-type compounds

4-Methoxy-1H-phenalen-1-one (4-methoxyperinaphthenone, 1), a subunit found in some Musa phytoalexins and related natural products from the Haemodoraceae, was synthesized starting from 2-methoxynaphthalene in five steps and an overall yield of 36%. A Heck–Fujiwara coupling between ethyl acrylate and 1-bromonaphthalene afforded the corresponding (E)-naphthylpropanoic acid which, after hydrogenolysis, was subjected to a one-pot Friedel–Crafts acylation–DDQ dehydrogenation procedure to furnish 1.     

Apparent symmetry breaking and its restoration in path integral variational method

If we use a symmetry broken trial action in path integral variational calculations, we often obtain a set of apparently symmetry broken degenerate solutions. We present a variational method to determine whether the symmetry breaking is apparent or not. In order to elaborate the method we study the ground state energy of deep double well potential in detail.     

Diophantine approximation in characteristiep

We study diophantine approximations to algebraic functions in characteristicp. We improve a theorem of Osgood, and give two classes of examples showing that this result is nearly sharp. One of these classes exhibits a new phenomenon.     

Chiral fermions in stochastic quantization

The simultaneous conservation of chiral and gauge currents in the framework of stochastic quantization is discussed. By means of the stochastic regularization procedure we explicitly compute the axial anomaly for fermions with mass m≠0 and the fictitious time t→∞. However, when m≡0, an ambiguity appears: it turns out that the two limits (m→0, t→∞) do not commute. In this case non-perturbative methods show that the difference between left-handed and right-handed zero modes cancels; therefore no anomaly is present and stochastic regularization is unable to describe chiral theories at finite fictitious time. It is in any case unclear how stochastic quantization can describe a massless fermion at finite t.     

Stereochemistry of organic sulphur compounds: 12—Configurational assignment of 2-methylsulphinyl-1-phenylethanol and some O-derivatives

The conformational analysis of the diastereomeric 2-methylsulphinyl-1-phenylethanol and its O-methyl and O-acetyl derivatives has been performed by ¹H NMR spectroscopy. The study of the influence of dilution and solvent polarity changes on the coupling constants has permitted the configurational assignment of each diastereoisomer. The role played by hydrogen bonding in the hydroxysulphoxides has also been studied by IR spectroscopy.     

Density-functional theory (hyper)polarizabilities of push-pull pi-conjugated systems: treatment of exact exchange and role of correlation

The performance of the optimized effective potential procedure for exact exchange in calculating static electric-field response properties of push-pull pi-conjugated systems has been studied, with an emphasis on NO2-(CH=CH)n-NH2 chains. Good agreement with Hartree-Fock dipole moments and (hyper)polarizabilities is obtained; particularly noteworthy is the chain length dependence for beta/n. Thus, the problem that conventional density-functional theory functionals dramatically overestimate these properties is largely solved, although there remains a significant correlation contribution that cannot be accounted for with current correlation functionals.     

The folded, tetrameric phosph(III)azane macrocycle [(P(mu-NtBu))2(1,4-(NH)2C6H4)]4

The tetrameric macrocycle [(P(mu-NtBu))2(1,4-(NH)2C6H4)]4, obtained from the reaction of the phosphazane dimer [ClP(mu-NtBu)]2 with p-phenylenediamine, has an unusual folded conformation in the solid state and contains a roughly tetrahedral arrangement of endo N-H groups for the potential coordination of anions.