Denbela, Getachew published the artcileComputational study on 4-amino-3- hydroxynaphthalene-1-sulfonic acid (AHNSA), Quality Control of 116-63-2, the publication is International Research Journal of Pure and Applied Chemistry (2017), 14(4), IRJPAC.36284/1-IRJPAC.36284/14, database is CAplus.
A computational study on 4-amino-3-hydroxynaphthalene-1-sulfonic acid (AHNSA) has been carried out to investigate formation of poly-(AHNSA), and to obtain binding structures and energies of AHNSA-Ephedrine and AHNSA-Caffeine complexes. For this purpose, the DFT/B3LYP/6-31G(D) and DFT/B3LYP/6-31+G(D) level of theories were utilized. These were investigated from anal. of their at. charge distributions, total spin d., frontier MOs, electrostatic potential maps and calculations of binding energies. Results from anal. suggest that homo-polymerization of AHNSA should involve the MOs arising between radical cations formed from the neutral monomer. The resulting data illustrated that the method was likely to be useful for homopolymerization of AHNSA. Calculated binding energies of AHNSA-Caffeine and AHNSA-Ephedrine complexes were -8.77 kcal mol-1 and -8.36 kcal mol-1, resp., which indicated that both complexes could be formed.
International Research Journal of Pure and Applied Chemistry published new progress about 116-63-2. 116-63-2 belongs to naphthyridine, auxiliary class Sulfonic acid,Amine,Naphthalene,Alcohol,Organic Pigment, name is 4-Amino-3-hydroxynaphthalene-1-sulfonic acid, and the molecular formula is C10H9NO4S, Quality Control of 116-63-2.
Referemce:
https://en.wikipedia.org/wiki/1,8-Naphthyridine,
1,8-Naphthyridine | C8H6N2 – PubChem