Estimating the energy of intramolecular bifurcated (three-centered) hydrogen bond by X-ray, IR and 1H NMR spectroscopy, and QTAIM calculations

Novel approach is proposed for estimating the energy of the two-centered components of the three-centered intramolecular CO⋯H(N)⋯OC hydrogen bond in the series of the 2,5-disubstituted 1H-pyrroles.150