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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
Abstract
This research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit coupling) between the S1 & T1 states. Apart from TADF, differences in crystal packing of the regio-isomers result in intriguing bulk phase properties. DPAOCN, with its non-centrosymmetric P212121 space group and substantial crystal void volume, enchants with reversible tri-color mechanochromic luminescent behavior, while the meta and para isomers, due to their centrosymmetric packing and diminished crystal void volume, remain inert to mechanical pressure. Expanding the horizon of possibilities, the non- centrosymmetric nature of ortho-isomer further renders it an excellent SHG material, with the χ(2) value of 0.19 pm/V at 1220 nm and laser-induced damage threshold (LIDT) value of 13.27 GW/cm2. Overall, a comprehensive investigation into the regio-isomers has been carried out, encompassing their TADF, SHG, and mechanochromic luminescent properties.
Citations
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Authors (6)
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Abhijit Chatterjee
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Chatterjee Joy PhD
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Mazurka Lahiri
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Mandal Pankaj
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Partha Hazra
Cite as
Full text
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1039/D3SC04280D
- License
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Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
Chemical Science
no. 14,
pages 13832 - 13841,
ISSN: 2041-6520 - Language:
- English
- Publication year:
- 2023
- Bibliographic description:
- Sappati S., Chatterjee A., Joy C., Lahiri M., Pankaj M., Hazra P.: Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space// Chemical Science -Vol. 14,iss. 47 (2023), s.13832-13841
- DOI:
- Digital Object Identifier (open in new tab) 10.1039/d3sc04280d
- Sources of funding:
-
- IDUB
- Verified by:
- Gdańsk University of Technology
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