Abstract
4b,7,9b-trihydroxy-4bH-benzo[d]indeno[1,2-b]furan-10(9bH)-one (THBIFO) single crystals were grown by slow evaporation solution growth technique. The defects free THBIFO single crystal was characterized by single crystal X-ray diffraction (SXRD) analysis and showing the lattice parameters and space group. Through hirshfeld surface analysis, the different inter and intra molecular contacts present within the crystal were visualized, and their percentage contribution was quantified using the 2D finger print plot. FT-IR spectral studies have elucidated the presence of different functional groups present in the THBIFO crystal. The molecular electrostatic potential (MEP), molecular geometrical parameters, frontier molecular orbital and TD-DFT calculation of the THBIFO crystal were theoretically investigated by Density Function Theory calculations. From the photoluminescence experiment at 591 nm excitation wavelength, the violet emission spectrum was observed. NLO properties were also validated by the results of the Z-scan technique.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.