Please use this identifier to cite or link to this item: https://dspace.iiti.ac.in/handle/123456789/9221
Title: Photonic properties of star shaped ferrocenyl substituted triazines
Authors: Misra, Rajneesh
Keywords: Computation theory;Density functional theory;Laser excitation;Laser pulses;Optical properties;Organic polymers;Stars;Two photon processes;Ultrafast lasers;Ultrashort pulses;Computational properties;Conjugation length;Donor-acceptor molecules;HOMO-LUMO gaps;Non-linear optical properties;Td-dft calculations;Nonlinear optics
Issue Date: 2016
Publisher: Elsevier Ltd
Citation: Misra, R., Maragani, R., Singh, C. P., & Chari, R. (2016). Photonic properties of star shaped ferrocenyl substituted triazines. Dyes and Pigments, 126, 110-117. doi:10.1016/j.dyepig.2015.10.011
Abstract: We report the linear and nonlinear optical properties of the star shaped ferrocenyl substituted thiophene triazines 1-4. The red shift in π→π∗absorption and enhancement in molar extinction coefficient (ε) in triazines 1-4 were found to be directly proportional to the conjugation length, whereas the HOMO-LUMO gap in triazines 1-4 were found to be inversely proportional to the conjugation length. The time dependent density functional theory (TD-DFT) at CAM-B3LYP and B3LYP calculations on triazines 1-4 were performed, in which TD-DFT/CAM-B3LYP results show good agreement with the experimental results. The nonlinear optical properties of triazines 1-4 were studied under femtosecond laser pulse excitation at 800 nm using the Z-scan technique. Large two-photon absorption coefficient value (1.8 × 10-13 m/W) was obtained for highly conjugated triazine 4. These triazines can serve as on optical limiter toward, high intensity short pulses. © 2015 Elsevier Ltd. All rights reserved.
URI: https://doi.org/10.1016/j.dyepig.2015.10.011
https://dspace.iiti.ac.in/handle/123456789/9221
ISSN: 0143-7208
Type of Material: Journal Article
Appears in Collections:Department of Chemistry

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