Danovich, D. K.; Turchaninov, V. K. published the artcile< Basicity of azoles. 2. Relationship with the energy of nonbonding electrons and reorganization energy of the π- and σ-electronic systems of the base upon ionization and protonation>, COA of Formula: C4H5BrN2, the main research area is azole ionization potential proton affinity; electron reorganization azole basicity.
Linear relationships between proton affinity (AM1) and ionization potential (Green’s function AM1 quantum-chem. method) were observed for series of imidazoles and pyrazoles and explained with a thermodn. cycle which took explicit account of the differences in electronic reorganization (relaxation) energy of the π- and σ-electronic systems of the azole cation and cation radical relative to the neutral mol.
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about Azoles Role: PRP (Properties). 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, COA of Formula: C4H5BrN2.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem