Proton-triggered octopolar NLO chromophores

C(3)-symmetric, octopolar 1,3,5-alkynylbenzenes with terminal pyridyl substituents are presented which show an increase up to 17-fold in the second-order NLO activity upon protonation while maintaining their octopolar character, as confirmed by the depolarization ratios measured.     

Inverting the local geodesic X-ray transform on tensors

We prove the local invertibility, up to potential fields, and stability of the geodesic X-ray transform on tensor fields of order 1 and 2 near a strictly convex boundary point, on manifolds with boundary of dimension n ≥ 3. We also present an inversion formula. Under the condition that the manifold can be foliated with a continuous family of strictly convex surfaces, we prove a global result which also implies a lens rigidity result near such a metric. The class of manifolds satisfying the foliation condition includes manifolds with no focal points, and does not exclude existence of conjugate points.     

Conical diffraction by multilayer gratings: a recursive integral equation approach

The paper is devoted to an integral equation algorithm for studying the scattering of plane waves by multilayer diffraction gratings under oblique incidence. The scattering problem is described by a system of Helmholtz equations with piecewise constant coefficients in ?² coupled by special transmission conditions at the interfaces between different layers. Boundary integral methods lead to a system of singular integral equations, containing at least two equations for each interface. To deal with an arbitrary number of material layers we present the extension of a recursive procedure developed by Maystre for normal incidence, which transforms the problem to a sequence of equations with 2×2 operator matrices on each interface. Necessary and sufficient conditions for the applicability of the algorithm are derived.     

The Surface Structure of a TiNi-Based Powder Alloy Manufactured by the Method of Diffusion Sintering

Russian Physics Journal - The structural features of the surface of a TiNi-based powder alloy produced by diffusion sintering are studied. Two-dimensional porous samples based on a TiNi powder...     

Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18-Hexaazatrinaphthylene-Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry

Multinuclear transition metal complexes bridged by ligands with extended π-electronic systems show a variety of complex electronic transitions and electron transfer reactions. While a systematic understanding of the photochemistry and electrochemistry has been attained for binuclear complexes, much less is known about trinuclear complexes such as hexaphenyl-5,6,11,12,17,18-hexaazatrinaphthylene-tristitanocene [(Cp₂Ti)₃HATN(Ph)₆]. The voltammogram of [(Cp₂Ti)₃HATN(Ph)₆] shows six oxidation and three reduction waves. Solution spectra of [(Cp₂Ti)₃HATN(Ph)₆] and of the electrochemically formed oxidation products show electronic transitions in the UV, visible and the NIR ranges. Density functional theory (DFT) and linear response time-dependent DFT show that the three formally titanium(II) centers transfer an electron to the HATN ligand in the ground state. The optically excited transitions occur exclusively between ligand-centered orbitals. The charged titanium centers only provide an electrostatic frame to the extended π-electronic system. Complete active self-consistent field (CASSCF) calculation on a structurally simplified model compound, which considers the multi-reference character imposed by the three titanium centers, can provide an interpretation of the experimentally observed temperature-dependent magnetic behavior of the different redox states of the title compound in full consistency with the interpretation of the electronic spectra.     

In Situ Generated Gold Nanoparticles on Active Carbon as Reusable Highly Efficient Catalysts for a C −C Stille Coupling

Gold nanoparticle catalysts are important in many industrial production processes. Nevertheless, for traditional C ?C cross‐coupling reactions they have been rarely used and Pd catalysts usually give a superior performance. Herein we report that in situ formed gold metal nanoparticles are highly active catalysts for the cross coupling of allylstannanes and activated alkylbromides to form C ?C bonds. Turnover numbers up to 29 000 could be achieved in the presence of active carbon as solid support, which allowed for convenient catalyst recovery and reuse. The present study is a rare case where a gold metal catalyst is superior to Pd catalysts in a cross‐coupling reaction of an organic halide and an organometallic reagent.