Kumar, Naresh published the artcileTuning of optical properties of p-phenyl ethenyl-E-furans: A Solvatochromism and Density functional theory, Product Details of C9H10O3, the main research area is phenylethenyl furan preparation optical electronic property substituent effect; Absorption; Density functional theory; Dipole moment; Fluorescence; Hyperpolarizability; Oscillator strength; Polarizability; Transition dipole moment.
P-Ph ethenyl-E-furans (1-6) with varied electron donor and acceptor substituent (NO2, CN, Cl, H, OCH3, NH2) were synthesized and studied the substituent induced optical properties (dipole moment, transition dipole moment, oscillator strength, optical band gap, hyperpolarizability) using Solvatochromism and D. functional theory. It is shown that furan acts as a weak electron donor in presence of an electron withdrawing p-Ph substituent (NO2, CN, Cl), whereas furan acts as a weak electron acceptor in presence of an electron donating p-Ph substituent (OCH3, NH2). In comparison to ethenylfuran 4, the HOMO-LUMO energy band gap is decreased upon increasing the electron donating or electron withdrawing nature of the Ph ring. Calculation of excited state dipole moment and polarizability of 1-6 in solvent of varying polarity suggest that the nitro and amino compounds (1, 6) exhibit charge transfer excited state, whereas excited state of compounds 3-5 is non-polar in nature. As compared to the ethenylfuran (4), the first hyperpolarizability (β) is increased in presence of a strong electron withdrawing or strong electron donating p-Ph substituent. The higher β value is found for ethenylfuran with p-nitrophenyl and p-amino Ph substitution. Overall, these studies provide useful information in tuning the optical properties of p-Ph substituted heterocyclic ethenyl systems.
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Band gap. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Product Details of C9H10O3.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem