منابع مشابه
Structure and optoelectronic properties of helical pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers.
Density functional theory based calculations have been carried out to systematically investigate the structural and optoelectronic properties of pyridine-furan, pyridine-pyrrole and pyridine-thiophene oligomers. Comparison of results obtained at B3LYP/6-31G(d) and B3LYP-D3/6-31G(d) levels of theories reveals that the inclusion of dispersion correction with the B3LYP functional has a major impac...
متن کاملElectrochemistry in Pyridine-iv. Chemical and Electrochemical Reduction of Pyridine”
The cathodic polarographic wave observed for solutions of AlCl, in pyridine is due not to reduction of Al(III), but to reduction of the solvent, in which process Al(II1) plays an essential role, apparently by polarizing the pyridine through the formation of a Lewis acid-base adduct with the pyridine nitrogen. Macroscale electrolysis of pyridine solutions of AlCl, at a mercury cathode results in...
متن کاملDiscovering the stacking landscape of a pyridine-pyridine system
Extremely extensive calculations of potential energy surfaces for the parallel-displaced configuration of pyridine dimer systems have been carried out using a dispersion-corrected density functional. Instead of focusing on stationary geometries these calculations provide much deeper insight into the "landscape" of the interaction energies of the particular systems-one can learn how the pyridine...
متن کامل2,6-Bis(bromomethyl)pyridine
In the title mol-ecule, C7H7Br2N, the C-Br vectors of the bromo-methyl groups extend to opposite sides of the pyridine ring and are oriented nearly perpendicular to its plane. In the crystal, the mol-ecules related by a c-glide-plane operation are arranged into stacks along the c axis, with centroid-centroid distances between neighboring aromatic rings of 3.778 (2) Å. A short Br⋯Br contact of 3...
متن کاملElectron scattering from pyridine.
We have calculated cross sections for elastic and inelastic electron scattering from pyridine in the energy range 1 eV to 1 keV. The R-matrix and IAM-SCAR methods have been used for low and higher collision energies, respectively. Agreement with available theoretical data is good. We have also examined the formation of shape resonances and compared our results with existing experimental data. W...
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ژورنال
عنوان ژورنال: Journal of Synthetic Organic Chemistry, Japan
سال: 1982
ISSN: 0037-9980,1883-6526
DOI: 10.5059/yukigoseikyokaishi.40.672