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Structural and optical properties of a thiophene-benzobisthiazole derivative

Paper ID Volume ID Publish Year Pages File Format Full-Text
28460 44075 2006 6 PDF Available
Title
Structural and optical properties of a thiophene-benzobisthiazole derivative
Abstract

A novel 4,8-bis(2-thiophyl)-2,6-dihexyl-benzo[1,2-d:4,5-d′]bisthiazole (BTDBBT) was synthesized and its crystal structure was determined to be monoclinic, C2/c, a = 27.379(6) Å, b = 10.566(2) Å, c = 9.916(2) Å, β = 106.49(3)°, V = 2750.5(10) Å3, and Z = 4. In this structure, the two thiophene moieties lie in almost the same plane as the main benzobisthiazole frame. Absorption, photoluminescence (PL), luminescence, and excitation spectra of BTDBBT are reported. Its structural and optical features were determined using ab initio Hartree–Fock (HF/6-31G**), density functional theory (DFT-B3LYP/6-31G**), and semiempirical (ZINDO) methods.

Keywords
4,8-Bis(2-thiophyl)-2,6-dihexyl-benzo[1,2-d:4,5-d′]bisthiazole; X-ray structure; Luminescence; Ab initio HF; Semiempirical ZINDO
First Page Preview
Structural and optical properties of a thiophene-benzobisthiazole derivative
Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 183, Issues 1–2, 30 September 2006, Pages 212–217
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering