Supramolecular structures in oxovanadium(IV) compounds with pyrid-2-one and pyrid-4-one ligands was written by Pesci, Rafaela B. P.;de Souza, Eliseu J.;Niquet, Elke;Nascimento, Otaciro R.;Viana, Rommel B.;Deflon, Victor M.. And the article was included in Journal of Molecular Structure in 2019.COA of Formula: C5H5NO This article mentions the following:
The aim of this study is to perform an anal. of the spectroscopic and electronic properties of three vanadium(IV) complexes formed from bis(acetylacetonato)oxovanadium(IV) [VO(acac)2] and pyrid-2-one (2pyon) or pyrid-4-one (4pyon) ligands: [VO(acac)2(2pyon)] (1), [VO(acac)2(4pyon)] (2) and [VO(acac)2(H2O)]·4pyon (3). In 1 and 2, the pyridone ligand coordinates neutral and monodentate to the vanadium center, with the oxygen atom placed in the axial trans position to the oxo ligand. In 3, the 4pyon ligand remains outside the metal 1st coordination sphere but bound to the aqua ligand through hydrogen bonds that gave a supramol. structure. Also, the D. Functional Theory (DFT) were applied to answer two overarching aspects. First, in complexes 1 and 2, the DFT anal. was used to establish the most stable configuration among the vanadium pyridone complex isomers, comparing the ligand via O-bound pyridone and N-bound hydroxypyridine chelating modes. Second, DFT was also performed to enable understanding of the intermol. interactions between the 4pyon and the [VO(acac)2(H2O)] moiety to elucidate the intermol. interactions in 3. Further insights were also obtained by applying the Natural Bond Orbital anal. (NBO) along with a topol. perspective via the use of the Quantum Theory of Atoms in Mols. (QTAIM). In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2COA of Formula: C5H5NO).
Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.COA of Formula: C5H5NO