Please use this identifier to cite or link to this item: http://hdl.handle.net/2289/7516
Title: Experimental and DFT/TD-DFT approach on photo-physical and NLO properties of 2, 6-bis (4-Chlorobenzylidene) cyclohexanone
Authors: George, Jesby
Thomas, A.K
Philip, Reji
+3 Co_authors
Keywords: Powder X-ray diffraction
TG/DSC
TD-DFT
Z-scan
Electron-hole transport
Issue Date: Feb-2020
Publisher: Elesvier B.V.
Citation: Optical Materials, 2020, Vol.100, p109620
Abstract: The crystalline nature and lattice parameters of synthesized compound 2, 6-bis (4-Chlorobenzylidene) cyclohexanone (B4CBC) were confirmed by powder X-ray diffraction technique. The splitting of the carbonyl mode is attributed to the intramolecular association on the basis of CO ….H type hydrogen bonding in the molecule. The doublet of the CO mode band originates from Fermi resonance. The solvatochromic behaviour of B4CBC in acetone solvent was investigated by UV–Vis, fluorescence spectroscopy and supported by TD-DFT calculations. Fluorescence lifetime measurement of the title compound exhibits a lifetime of the order of 2–3 ns and blue emission observed from CIE chromatic diagram. Decay curve also shows that excited state life time of BBC is longer, indicating that the chlorine substituent atom has a significant impact on the excited state relaxation process. Our result shows that NLO response and photo-physical parameters of cyclohexanone derivatives are tunable via peripheral substituent chlorine atom
Description: Restricted Access
URI: http://hdl.handle.net/2289/7516
ISSN: 0925-3467
Alternative Location: https://doi.org/10.1016/j.optmat.2019.109620
Copyright: 2020, Elsevier B.V.
Appears in Collections:Research Papers (LAMP)

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