The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-(4-Pyridyl)-1H-tetrazole( cas:14389-12-9 ) is researched.Safety of 5-(4-Pyridyl)-1H-tetrazole.Pellizzeri, Steven; Delaney, Sean P.; Korter, Timothy M.; Zubieta, Jon published the article 《Using Terahertz Spectroscopy and Solid-State Density Functional Theory to Characterize a New Polymorph of 5-(4-pyridyl)tetrazole》 about this compound( cas:14389-12-9 ) in Journal of Physical Chemistry A. Keywords: terahertz spectroscopy solid DFT crystallog characterize polymorph pyridyltetrazole. Let’s learn more about this compound (cas:14389-12-9).
A new high-temperature polymorph of 5-(4-pyridyl)tetrazole was discovered and characterized using x-ray crystallog. and terahertz (THz) spectroscopy. The THz spectrum of the new polymorph was compared to the previously published form and was replicated by solid-state d. functional theory. Terahertz spectroscopy was used to determine the influence of the different packing motifs on the mol. and low energy lattice vibrations displayed at 10-100 cm-1. There is only a ∼ 2 cm-1 difference in the primary peak location, caused by a whole mol. rotation along the principal a axis, between the two polymorphic forms. The energy of formation was determined, and the previously known polymorphic form is more stable by ∼0.25 kJ/mol, compared to the newly discovered form.
Different reactions of this compound(5-(4-Pyridyl)-1H-tetrazole)Safety of 5-(4-Pyridyl)-1H-tetrazole require different conditions, so the reaction conditions are very important.
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