Recommanded Product: 31106-82-8In 2019 ,《Theoretical exploration for recognition mechanism of two similar coumarin-based probes on Hg2+ and Cu2+》 was published in Journal of Molecular Structure. The article was written by Wang, Haiyan; Yao, Shun; Liu, Qian; Wang, Kun; Yu, Haizhu; Zhu, Xiaojiao; Kong, Lin; Zhou, Hongping. The article contains the following contents:
Two coumarin-based fluorescent probes with two or one pyridine groups, denoted as L1 (I) and L2(II), were synthesized, which exhibited quick identification of Hg2+ and/or Cu2+ in water medium, resp. In order to explore the difference in recognition performance caused by structure and to guide the structural tuning in the experiments, optimized structures, Natural Bond Orbital (NBO) at. charges, Wiberg bond index (WBI), HOMO-LUMO gaps and complexation energies between probes and center cation were calculated by d. functional theory (DFT) methods using BP86 with 6-31(d-p) and lanL2DZ basis sets. Combining the calculated parameters of different coordination positions and coordination numbers of Hg2+ and Cu2+ complexes with the exptl. results, the most likely coordination modes are inferred, which provides the beneficial guidance for designing probes rationally. In the experiment, the researchers used 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8Recommanded Product: 31106-82-8)
2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8) belongs to pyridine. Pyridines, quinolines, and isoquinolines have found a function in almost all aspects of organic chemistry. Pyridine has found use as a solvent, base, ligand, functional group, and molecular scaffold. As structural elements, these moieties are potent electron-deficient groups, metal-directing functionalities, fluorophores, and medicinally important pharmacophores. Recommanded Product: 31106-82-8