Zafar, Sana published the artcileLinear and non linear optical properties of electron donor and acceptor pyridine moiety: a study by ab initio and DFT methods, COA of Formula: C11H8N2O2, the publication is Canadian Journal of Pure & Applied Sciences (2012), 6(1), 1827-1835, database is CAplus.
The Donor-Acceptor type conjugated mol. structures containing pyridine as a bridge were explored for non linear optical properties. The ab-initio Hartree Fock calculations and D. Functional Theory with B3LYP method were carried out employing 6-31 G basis set. The dipole moments (μ), polarizability (α), 1st hyperpolarizability (β), and HOMO-LUMO energy gap are calculated using the same level of theory. The dependence of the hyperpolarizability of different mol. structure on the nature of donor and acceptor on the pyridine is discussed from MO picture. Of all the mol. systems studied, the mol. system containing nitro as an acceptor and dimethylaniline as a donor has largest value of hyperpolarizability; 49.92 × 10-30 esu and 164.61 × 10-30 esu with ab-initio/HF and DFT/B3LYP, resp. The large value of β for the Donor-Acceptor pyridine derivative suggests the potential applications of these mol. systems in the development of non linear materials.
Canadian Journal of Pure & Applied Sciences published new progress about 89076-64-2. 89076-64-2 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitro Compound,Benzene, name is 5-Nitro-2-phenylpyridine, and the molecular formula is C9H6BrNO, COA of Formula: C11H8N2O2.
Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem