Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic pi-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations

Roy, Syamantak and Hazra, Arpan and Bandyopadhyay, Arkamita and Raut, Devraj and Madhuri, Lakshmi P and Rao, Shankar DS and Ramamurty, Upadrasta and Pati, Swapan Kumar and Prasad, Krishna S and Maji, Tapas Kumar (2016) Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic pi-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. In: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7 (20). pp. 4086-4092.

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Abstract

We report the design, synthesis, detailed characterization, and analysis of a new multifunctional pi-conjugated bola-amphiphilic chromophore: oligo-(p-phenyleneethynylene)-dicarboxylic acid with dialkoxyoctadecyl side chains (OPE-C-18-1). OPE-C-18-1 shows two polymorphs at 123 K (OPE-C-18-1') and 373 K (OPE-C-18-1 `'), whose crystal structures were characterized via single crystal X-ray diffraction. OPE-C-18-1 also exhibits thermotropic liquid crystalline property revealing a columnar phase. The inherent pi-conjugation of OPE-C-18-1 imparts luminescence to the system. Photoluminescence measurements on the mesophase also reveal similar luminescence as in the crystalline state. Additionally, OPE-C-18-1 shows mechano-hypsochromic luminescence behavior. Density functional theory (DFT)-based calculations unravel the origins behind the simultaneous existence of all these properties. Nanoindentation experiments on the single crystal reveal its mechanical strength and accurately correlate the molecular arrangement with the liquid crystalline and mechanochromic luminescence behavior.

Item Type:	Journal Article
Publication:	JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Additional Information:	Copy right for this article belongs to the AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Department/Centre:	Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited:	03 Dec 2016 10:12
Last Modified:	03 Dec 2016 10:12
URI:	http://eprints.iisc.ac.in/id/eprint/55411

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