Mannopantar, Santosh R., Maheshkumar, B., Ramesh, D., Lalasangi, A.S., Bendigeri, H.H., Kalasad, M.N., and Kulkarni, Vijay. K.
[Display omitted] • Ag 2 O nanoparticles were synthesized by chemical reduction method, with CMC as a capping agent. • Dipole moment and solvatochromic effects were studied with BMNFC molecules, supported by DFT calculations. • Various spectral functionals, like Lippert-Mataga and Bakhshiev, were used to understand the spectral properties. • Results showed that Ag 2 O nanoparticles enhances the dipole moment of BMNFC molecule. We experimentally determined the ground and excited state dipole moments of BMNFC (5-bromo-N'-[(Z)-(4-methoxyphenyl)methylidene]naptho[2,1-b]furan-2-carbohydrazide) dye using the solvatochromic shift method and various solvatochromic correlations, including Lippert's, Bakhshiev's, Kawski-Chamma-Viallet's, and solvent polarity equations. We employed the B3LYP/6-311G (d) level of theory to calculate the HOMO, LUMO, and MESP. In this study, we synthesized Ag 2 O nanoparticles using a quick and cost-effective chemical reduction method. Then, we used carboxymethylcellulose (CMC) as a capping agent. We studied the size, shape, and composition of these nanoparticles using a variety of analytical techniques. Transmission electron microscopy (TEM) analysis revealed a spherical morphology with an average diameter of 17 nm. The results show that adding Ag 2 O nanoparticles to BMNFC molecules changes their symmetric charge distribution, which in turn enhances their dipole moment. Molecules of enhanced dipole moment have attractive features in biomedical applications. Each molecule's symmetry point group determines the extent to which nanoparticles affect the BMNFC molecule. [ABSTRACT FROM AUTHOR]