A Donor-Acceptor-Donor Structured Organic Conductor with S center dot center dot center dot S Chalcogen Bonding

Bai, Monalisa and Thomas, Sajesh P and Kottokkaran, Ranjith and Nayak, Susanta K and Ramamurthy, Praveen C and Row, Guru TN (2014) A Donor-Acceptor-Donor Structured Organic Conductor with S center dot center dot center dot S Chalcogen Bonding. In: CRYSTAL GROWTH & DESIGN, 14 (2). pp. 459-466.

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Abstract

A novel thiophene derivative 7,9-di(thiophen-2-yl)-8H-cyclopentaa]acenaphthylen-8-one (DTCPA) is shown to exhibit high electrical conductivity (1.97 x 10(-2) +/- 0.0018 S/cm at RT) in the crystalline state. The material shows two orders of increase in conductivity from normal solid to single crystalline state. The crystal structure has S center dot center dot center dot S chalcogen bonding, C-H center dot center dot center dot O hydrogen bonding, and pi center dot center dot center dot pi stacking as the major intermolecular interactions. The nature and strength of the S center dot center dot center dot S interactions in this structure have been evaluated by theoretical charge density analysis, and its contribution to the crystal packing quantified by Hirshfeld surface analysis. Further, thermal and morphological characterizations have been carried out, and the second harmonic generation (SHG) efficiency has been measured using the Kurtz-Perry method.

Item Type:	Journal Article
Publication:	CRYSTAL GROWTH & DESIGN
Publisher:	AMER CHEMICAL SOC
Additional Information:	copyright for this article belongs to AMER CHEMICAL SOC, USA
Department/Centre:	Division of Chemical Sciences > Materials Research Centre
Date Deposited:	03 Apr 2014 05:40
Last Modified:	03 Apr 2014 05:42
URI:	http://eprints.iisc.ac.in/id/eprint/48740

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