Structural and Optical Properties of Inherently Chiral Polythiophenes: A Combined CD-Electrochemistry, Circularly Polarized Luminescence, and TD-DFT Investigation
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- 作者：Giovanna Longhi ; Sergio Abbate ; Giuseppe Mazzeo ; Ettore Castiglioni ; Patrizia Mussini ; Tiziana Benincori ; Rocco Martinazzo ; Francesco Sannicol貌
- 刊名：Journal of Physical Chemistry C
- 出版年：2014
- 出版时间：July 24, 2014
- 年：2014
- 卷：118
- 期：29
- 页码：16019-16027
- 全文大小：580K
- ISSN：1932-7455
文摘
Circular dichroism (CD) and ultraviolet absorption (UV) spectra of films obtained by electrochemical polymerization of inherently chiral 2,2鈥?bis(2,2鈥?bithiophene-5-yl)-3,3鈥?bithianaphthene (T4-BT2) are taken during electrochemical polarization cycles. Besides the bisignate CD features in the near UV range recorded at zero potential, new features in the visible鈥搉ear-infrared range are observed under increased applied potential. Results are interpreted with the help of static and time-dependent (TD) density functional theory (DFT) calculations, which shed light on the structural and electronic properties of neutral and charged oligomers (from monomers to tetramers) and reproduce UV and CD spectra satisfactorily. Furthermore, properties of the excited state of T4-BT2 monomers in solution are enlightened by combining circularly polarized luminescence (CPL) measurements with TD-DFT calculations.