Environment polarity effects on the microscopic nonlinear optical properties of some asymmetrical azobenzene molecules

• Published in: Canadian journal of chemistry Vol. 101; no. 6; pp. 384 - 395
• Main Authors: Sadigh, M. Khadem, A.Shamkhali, N
• Format: Journal Article
• Language: English
• Published: Ottawa NRC Research Press 01.06.2023; Canadian Science Publishing NRC Research Press
• Subjects: Absorption cross sections; Atomic absorption spectroscopy; Azo compounds; Azo dyes; Density functional theory; Density functionals; Dipole moments; Emission spectroscopy; Identification and classification; Nonlinear optics; Optical properties; Photon absorption; Polarity; Solvent effect; Solvents; Spectra; Iran
• ISSN: 0008-4042; 1480-3291
• DOI: 10.1139/cjc-2022-0083

Solvent as a complex environment can surround solute molecules and modify their function. In this work, different solutesolvent interaction effects on the nonlinear optical behavior of some azo dyes were studied at the molecular level. In this case, spectroscopic technique and density functional theory were used. According to the results, molecular dipole transition, changes between ground and excited state dipole moments, substituent, and environment polarity play considerable effects on the molecular nonlinear optical responses. In addition to solvent effects on the molecular first- and second-order hyperpolarizability, the two-photon absorption cross-section is also modified due to solvent-induced interactions. Moreover, the determination of the contribution of dominant solvent effects on the molecular nonlinear optical behavior can facilitate the studies on the application of optical samples in designing various optical systems.