trans‐[N,N′‐Bis­(salicyl­idene)­cyclo­hexane‐1,2‐diaminato]­nickel(II)–chloro­form (1/1)

In the title complex, trans‐{2,2′‐[cyclo­hexane‐1,2‐diyl­bis­(ni­t­rilo­methyl­idyne)]­di­phenol­ato‐κ⁴O,N,N′,O′}­nickel(II)–chloro­form (1/1), [Ni(C₂₀H₂₀N₂O₂)]·CHCl₃, the Ni atom has a square‐planar geometry, slightly tetrahedrally distorted. The Ni—N and Ni—O bonding distances are within the expected ranges for Ni–Schiff base derivatives. The di­imine bridge has a gauche conformation with the cyclo­hexyl ring almost coplanar with the NiN₂O₂ plane. The complex mol­ecules pack in dimers with an Ni?Ni distance of 3.59 (1) Å and form a three‐dimensional structure displaying a herring‐bone configuration. Channels are occupied by solvent mol­ecules, which are involved in C—H?O hydrogen bonds with the ligand O atoms.     

Synthesis and photophysical evaluation of meso-phenyl-1,4-dihydropyridineand pyridine-porphyrin hybrids

Chemistry of Heterocyclic Compounds - In the present work, we have synthesized new molecular hybrids consisting of porphyrin ring system connected at the meso positions with phenyl groups and/or,...     

Hydrogen bonding networks in gabapentin protic pharmaceutical salts: NMR and in silico studies

Hydrogen bonds (HBs) play a key role in the supramolecular arrangement of crystalline solids and, although they have been extensively studied, the influence of their strength and geometry on crystal packing remains poorly understood. Here we describe the crystal structures of two novel protic gabapentin (GBP) pharmaceutical salts prepared with the coformers methanesulfonic acid (GBP:METHA) and ethanesulfonic acid (GBP:ETHA). This study encompasses experimental and computational electronic structure analyses of ¹H NMR chemical shifts (CSs), upon in silico HB cleavage. GBP:METHA and GBP:ETHA crystal packing comprise two main structural domains: an ionic layer (characterized by the presence of charge-assisted ⁺NH_GBP⋯ O⁻_METHA/ETHA HB interactions) and a neutral layer generated in a different way for each salt, mainly due to the presence of bifurcated HB interactions. A comprehensive study of HB networks is presented for GBP:METHA, by isolating molecular fragments involved in distinct HB types (NH⋯ O, OH⋯ O, and CH⋯ O) obtained from in silico disassembling of an optimized three-dimensional packing structure. Formation of HB leads to calculated ¹H NMR CS changes from 0.4 to ~5.8 ppm. This study further attempts to assess how ¹H NMR CS of protons engaged in certain HB are affected when other nearby HB, involving bifurcated or geminal/vicinal hydrogen atoms, are removed.     

Quantitative detection of anodic oxygen evolution on solid state sintered silicon carbide under near ECM conditions

Journal of Solid State Electrochemistry - The present work examined the gas evolution on a solid-state sintered silicon carbide material (EKasic®D) at high anodic potentials (up to...     

Hyperfine Parameters for Muonium in Copper (I), Silver (I) and Cadmium Oxides

Muonium centres in Cu₂O, Ag₂O and CdO show hyperfine parameters spanning four orders of magnitude. They exemplify the three different categories of hydrogen defect centre in semiconducting and dielectric solids, with very different electronic structure and electrical activity, namely quasi-atomic (possibly deep acceptor), deep donor and shallow donor.     

Multiple-prism near-grazing-incidence grating solid-state dye-laser oscillator

Solid-state multiple-prism near grazing-incidence grating dye lasers have been configured in cavities as short as 73 mm using dye-doped modified PMMA gain media. Single-longitudinal-mode emission, in near-Gaussian temporal pulses of 6-7 ns (FWHM) duration, has been achieved. Measured laser linewidths are in the 375 MHz range, and beam divergence is 2.3 mrad, at 3%-4% conversion efficiencies.     

Coherent-state quantization of constrained fermion systems

The quantization of systems with first- and second-class constraints within the coherent-state path-integral approach is extended to quantum systems with fermionic degrees of freedom. As in the bosonic case the importance of path-integral measures for Lagrange multipliers, which in this case are in general expected to be elements of a Grassmann algebra, is emphasized. Several examples with first- and second-class constraints are discussed. Received: 28 May 1997 / Revised version: 23 July 1997