1.
Spectrochim Acta A Mol Biomol Spectrosc
; 249: 119320, 2021 Mar 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33360563
RESUMO
Non-covalent interactions determine the three-dimensional structure and activity of biological molecules. In this work, the pyrrole-pyridine complex considered as a model of the NHâ¯N hydrogen-bonded Watson-Crick base pairs has been generated in a supersonic expansion and characterized by chirped pulse Fourier transform microwave spectroscopy. The analysis of the unconventional spectral pattern of the 1:1 pyrrole-pyridine adduct and its 13C and 15N isotopologues reveal a non-planar complex, with a bent NHâ¯N hydrogen bond and large amplitude motion of the pyrrole subunit. The bent structure is likely to arise from the stablishment of the secondary CHâ¯N interaction between pyridine and pyrrole moieties.