The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-(4-Pyridyl)-1H-tetrazole, is researched, Molecular C6H5N5, CAS is 14389-12-9, about Using solid-state density functional theory and terahertz spectroscopy to spectroscopically distinguish the various hydrohalide salts of 5-(4-pyridyl)tetrazole, the main research direction is pyridyltetrazole hydrobromide hydrochloride solid state density functional far IR; crystal structure pyridyltetrazole hydrobromide hydrochloride; mol structure pyridyltetrazole hydrobromide hydrochloride; tetrazole pyridyl hydrobromide hydrochloride crystal mol structure far IR.Safety of 5-(4-Pyridyl)-1H-tetrazole.
The crystal structures and exptl. THz spectra of the isostructural hydrobromide and hydrochloride salts of 5-(4-pyridyl)tetrazole were reproduced using solid-state d. functional theory as implemented in CRYSTAL09. The effect of the halide size was studied to determine the influence on the low energy lattice and mol. vibrations exhibited at 10-100 cm-1, known as the terahertz (THz) region. Using solid-state DFT, the normal modes of these THz vibrations were determined and the mass and size of the halide anion has a significant effect in this region. A trend was observed in the frequencies in the terahertz region, such that increasing the mass of the anion, produces an overall red shift in the frequency. Crystallog. data are given.
As far as I know, this compound(14389-12-9)Safety of 5-(4-Pyridyl)-1H-tetrazole can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.
Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis