Characterizing the lone pair路路路蟺-hole interaction in complexes of ammonia with perfluorinated arenes was written by Li, Weixing;Usabiaga, Imanol;Calabrese, Camilla;Evangelisti, Luca;Maris, Assimo;Favero, Laura B.;Melandri, Sonia. And the article was included in Physical Chemistry Chemical Physics in 2021.Safety of 2,3,4,5,6-Perfluoropyridine The following contents are mentioned in the article:
When hydrogen is completely replaced by fluorine, arenes become prone to forming a lone pair路路路蟺-hole non-covalent bond with ligands presenting electron rich regions. Such a species is ammonia, which confirms this behavior engaging its lone pair as the electron donor counterpart in the 1 : 1 adducts with hexafluorobenzene and pentafluoropyridine. In this work, the geometrical parameters of the interaction have been unambiguously identified through the detection, by means of Fourier transform microwave spectroscopy, of the rotational spectra of both normal species and their 15NH3 isotopologues. An accurate anal. of the exptl. data, including internal dynamics effects, endorsed by quantum chem. calculations, both with topol. anal. and energy decomposition method, extended to the hydrogenated arenes and their water complexes, proved the ability of ammonia to create a stronger and more flexible lone pair路路路蟺-hole interaction than water. Interestingly, the higher binding energies of the ammonia lone pair路路路蟺-hole interactions correspond to larger intermol. distances. This study involved multiple reactions and reactants, such as 2,3,4,5,6-Perfluoropyridine (cas: 700-16-3Safety of 2,3,4,5,6-Perfluoropyridine).
2,3,4,5,6-Perfluoropyridine (cas: 700-16-3) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Safety of 2,3,4,5,6-Perfluoropyridine