Can 2-acylpyrroles form an intramolecular hydrogen bond ?

  • Alina T. Dubisa, Piotr Stasiewicza, Katarzyna Pogorzelec-Glaserb
  • Published 2015

Abstract

The formation of intramolecular hydrogen bonding by certain N-substituted 2-acylpyrroles has been demonstrated by B3LYP/aug-cc-pVDZ calculations, the quantum theory of atoms in molecules, and the natural bond orbital method. Total electron energy densities HBCP at the bond critical point of the H⋯O bond were applied to analyze the strength of these… (More)

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