Kumar, Jagdeep published the artcileOptical properties of 3-substituted indoles, Formula: C9H10O3, the main research area is phenyl ethenylindole preparation diastereoselective DFT optical property; formylindole phenyl acetic acid condensation.
The optical properties of various donor or acceptor p-Ph substituted ethenyl indoles I (R = H, OH, Cl, etc.; R1 = H, Et, acetyl, benzenesulfonyl) were studied in solvents of varying polarity using absorption, fluorescence and TDDFT methods. Ethenyl indole exhibits non-linear optical properties (NLO) in a substituent dependent manner. Compound with a strong electron-attracting substituent-, shows large NLO properties with charge transfer behavior, whereas ethenyls with moderate electron withdrawing or electron donating substituent exhibit lower NLO properties with non polar excited state. A highly dipolar excited state for p-nitro Ph substituted ethenyl indoles (μe: 18.2-27.1 debye; Δμ: 9.4-17.8 debye) is observed as compared to other ethenyls (μe: 6.6-9.5 debye; Δμ: 4.2-6.2 debye). From TDDFT study, it is shown that the HOMO-LUMO energy of ethenyl is increased with increasing the electron donating ability of the p-Ph substitution. The optical band gap of ethenyl I (R = R1 = H, II) without substitution, is decreased upon p-Ph substitution either with an electron withdrawing (Cl, NO2) or an electron donating (OCH3, OH, NH2) substituent. The compound with a strong electron accepting, p-nitrophenyl ethenyl indole I (R = NO2, R1 = H, III) shows 12 times better NLO response as compared to the reference ethenyl indole II (β: III: 115 x 10-30 esu-1 cm5, II: 9 x 10-30 esu-1 cm5). Ethenyls I (R = Cl, H, OMe, OH, NH2; R1 = H) bearing a weak or moderately electron withdrawing or electron accepting substituent, exhibit lower NLO response. The β of ethenyl is increased with increasing the order of electron withdrawing nature of Ph ring. Overall, a correlation of β with the optical band gap, ground state dipole moment, % of charge transfer in the ground and excited state is found.
RSC Advances published new progress about Absorption. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Formula: C9H10O3.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem