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Vol. 26 No. 13 (2014): Vol 26 Issue 13

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First Principles Studies on One-Photon and Two-Photon Absorption Properties of Symmetric Thiophene Derivatives

https://doi.org/10.14233/ajchem.2014.16044
Chungang Li
Longkou Entry-exit Inspection and Quarantine Bureau, Longkou 265700, Shandong, P.R. China
Zhihong Wang
Longkou Entry-exit Inspection and Quarantine Bureau, Longkou 265700, Shandong, P.R. China

Corresponding Author(s) : Chungang Li

lichungang163@163.com

Asian Journal of Chemistry, Vol. 26 No. 13 (2014): Vol 26 Issue 13

Abstract

In this paper, the equilibrium geometries, one-photon, two-photon absorption properties and the transition nature of three thiophene derivatives have been theoretically studied by applying density functional response theory. Our calculated results have confirmed that the one-photon and two-photon absorption are enhanced and bathochromically shift with the increase of the strength of the D end-groups as well as the length of the conjugated system. The nonlinear optical phenomenons of the derivatives under investigation, originating from the intramolecular charge transfer within the p-conjugated system.

Keywords

One-photon absorption Two-photon absorption Density functional theory Thiophene derivatives
Li, C., & Wang, Z. (2014). First Principles Studies on One-Photon and Two-Photon Absorption Properties of Symmetric Thiophene Derivatives. Asian Journal of Chemistry, 26(13), 3941–3945. https://doi.org/10.14233/ajchem.2014.16044
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