Impact of fluorination and chlorination on the electronic structure, topology and in-plane ring normal modes of pyridines was written by Benassi, Enrico;Vaganova, Tamara;Malykhin, Evgenij;Fan, Haiyan. 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:
Seven partially and fully fluorinated/chlorinated pyridines were investigated by means of FT-IR and Raman spectroscopy combined with quantum chem. calculations, mainly aiming to detect how the nature and position of F and Cl substituents affect the in-plane ring normal modes (RNMs) of pyridines in terms of vibrational wavenumbers, force constants, IR intensities and Raman activities. Taking pyridine as the reference, the RNMs and some derived RNMs through coupling with related C-X (X = F, Cl) stretching vibrations were identified on the basis of their composition in terms of internal coordinates. The impact of fluorination and chlorination on these RNMs was also discussed from the perspective of frontier MOs , maps of the mol. electrostatic potential (MEP) and the mol. topol. Natural bond orbital (NBO) anal. revealed the consequences of substitutions on the intramol. charge delocalization and consequently the ring bond strength. Moreover, the effects of anharmonicity of the potential on vibrational frequencies were presented and discussed. 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. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. 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