Solvatochromism of Heteroaromatic Compounds: X. 2-Phenylpyrrolide Anion

2-Phenylpyrrolide anion was obtained in high-polarity media containing MeONa as an ionizing agent. The bathochromic shift of the long-wave absorption band in going from the neutral to deprotonated form is explained by the difference in the molecular orbital characteristics of the parent molecule and the anion, as well as the by change in the equilibrium conformation on deprotonation. According to ab initio calculations, the conformational rearrangement contributes partly to the observed shift; the greatest contribution is from the destabilization of the highest occupied molecular orbital.     

Condensation of ketoximes with phenylacetylene

2-Methyl-5-phenyl- and 2,5-diphenylpyrrole and 2-phenyl-, Z-[1-(2-phenylvinyl)]-3-phenyl-, and 4,5,6,7-tetrahydroindole, and 2,4-diphenyl-3,3-dimethyl-5-hydroxypyrroline have been obtained from the reaction of ketoximes with phenylacetylene, catalyzed by KOH-DMSO.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 485–488, April, 1992.     

Synthesis of pyrroles from heterocyclic compounds (review)

Current information on methods of forming a pyrrole ring from heterocyclic compounds is systematized and generalized. Reaction schemes are discussed.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 291–308, March, 1989.     

Synthesis of 2,5′-substituted 2′,5-bipyrimidines

Reaction of 5-substituted-2-methylpyrimidines with the Vilsmeyer complex followed by condensation of the resulting immonium salts and acroleins with aromatic amidines has given liquid crystalline 2,5-bipyrimidines.Deceased.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp. 804–807, June, 1990.     

NMR spectra and structures of protonated 1-vinylpyrroles

Stable 1-vinylpyrrolium fluorosulfonates were prepared by the reaction of 1-vinylpyrroles with excess HSO₃F at –50°C in CD₂Cl₂ and their ¹H and ¹³C NMR spectra were obtained. Despite its overall positive charge, the pyrrole ring remains an electron donor relative to the vinyl group. Delocalization of the positive charge onto substituents decreases in the order 2-heteroaryl > 2-aryl > 2-alkyl.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 48–57, January, 1993.     

External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface

Electronic structure and spin-related properties of CoI₂/NiI₂ heterostructure were studied by means of density functional theory. It was shown that the electronic structure at the Fermi level can be characterized by a band gap. The effect of the external electric field on charge transfer and electronic properties of the CoI₂/NiI₂ interface was investigated, and it was found that band gap width depends on the strength of the applied electric field, switching its nature from semiconducting to a half-metallic one. An easy control of the electronic properties and promising spin-polarized nature of the CoI₂/NiI₂ spinterface allows the heterostructure to be used in spin-related applications.