Catalan, Javier published the artcileThe azoles: a theoretical study, Application In Synthesis of 30086-17-0, the main research area is MO azole; protonation azole; dipole moment azole; tautomerism azole.
Ab initio calculations were reported for 35 azoles (neutral mols. and protonated azolium salts) based on INDO optimized geometries. Calculated dipole moments agreed with measured values. Protonation sites (most basic N atoms) were determined from calculated protonation energies and N lone pair changes. Linear relations between exptl. aqueous basicity and calculated protonation energies for N-methylazoles and between exptl. aqueous acidity for N-unsubstituted azoles and the charge of the NH H atom, were observed Tautomerism of the triazoles and tetrazoles were discussed.
Chemica Scripta published new progress about Acidity. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Application In Synthesis of 30086-17-0.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem