Electron and Proton Donating Ability of the Pyrrolyl and Diazolyl Derivatives of Cycloalkanones

N. N. Chipanina, L. P. Oznobikhina, M. V. Sigalov, V. Yu Serykh, B. A. Shainyan

Research output: Contribution to journalArticlepeer-review

Abstract

Abstract: To assess the donor-acceptor properties of the basic and acidic sites inpyrrolyl and diazolyl derivatives of cycloalkanones, the energies and the shapesof the frontier molecular orbitals of their tautomers and conformers werecalculated and the maps of the charge density distribution were constructed. Thecompetition of these sites in the formation of hydrogen and coordination bondsand the possibility of participation of the studied products as ligands in metalcomplexes were shown. Complexes of diazolyl derivatives withCuCl2 were obtained. The synthesis of7-amino-2-(pyrrolidin-2-ylmethylene)indan-1-one was performed and its structureand propensity to UV-initiated E→Z isomerization were studied by NMR and IRspectroscopy. [Figure not available: see fulltext.]

Original languageEnglish
Pages (from-to)991-1008
Number of pages18
JournalRussian Journal of General Chemistry
Volume91
Issue number6
DOIs
StatePublished - 1 Jun 2021

Keywords

  • NMR and IR spectroscopy
  • charge density distribution
  • copper(II) complexes
  • cycloalkanones pyrrolyl (diazolyl) derivatives
  • theoretical calculations

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