Abstract
The acetyl acetone and benzoyl acetone pyrene based difluoroboron scaffolds and their respective decomplexed congeners were investigated for their nonlinear optical properties in various microenvironment. The geometries of the chromophore were optimized and electronic excitation properties were estimated using time dependant density functional theory. The vertical excitation properties were found to be complimentary to the experimental results. Nolinear optical properties were evaluated using solvatochromism and Density Functional Theory. The experimental nonlinear optical properties well correlated using Mulliken Hush parameters and also compared with calculated values. CAM-B3LYP results were found to be superior over the B3LYP and BHandHLYP methods. The positive solvatochromism in emission were well explained by multilinear regression and bond length alteration.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
