Synthesis, structural characterization and Hirshfeld surface analysis of NLO active 3-hydroxypyridinium 2,4-dinitrophenolate single crystals was written by Manikandan, A.;Manivannan, D.;Dhanalakshmi, M.;Guganathan, L.;Kokila, T.;Santhamoorthy, M.;Markkandan, R.;Kim, S. C.;Balakrishnan, C.. And the article was included in Journal of Materials Science: Materials in Electronics in 2022.Safety of Pyridin-4-ol This article mentions the following:
Single crystals of 3-hydroxypyridinium 2,4-dinitrophenolate (I) and 4-hydroxypyridinium 2,4-dinitrophenolate (II) was harvested under slow evaporation conditions. The yellow block crystals formed by O-H璺矾璺疧 and N-H璺矾璺疧 hydrogen bonding that made contacts through the cation and anion was characterized by single-crystal X-ray diffraction, IR spectrum, diffuse reflectance spectrum, thermogravimetric and Hirshfeld surface anal. Crystal (I) packed orthorhombic crystal system with acentric P212121 space group and (II) packed in monoclinic system with centric P21/c space group. Intra-/intermol. hydrogen bonds and weak van der Waals forces construct the supramol. network in the crystal packing. The bandgap energy was estimated using diffuse reflectance spectral data by the application of the Kubelka-Munk algorithm. The non-linear optical response is examined by the Kurtz-Perry technique gave the result that the efficacy of crystal (I) is 閳?4 times greater than that of reference KDP. TG/DTA anal. reveals the thermal pattern of the compounds Fingerprint plot used to locate and analyze the percentage contribution of hydrogen bonding interactions. First-order mol. hyperpolarizability calculated using theor. calculations shows a significant microlevel nonlinearity in both cases. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Safety of Pyridin-4-ol).
Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Safety of Pyridin-4-ol