Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair.
Spectrochim Acta A Mol Biomol Spectrosc
; 249: 119320, 2021 Mar 15.
Article
em En
| MEDLINE
| ID: mdl-33360563
ABSTRACT
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 11 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.
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MEDLINE
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En
Ano de publicação:
2021
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Article