NDLI: Electronic properties of poly(thiophene-3-methyl acetate)

Content Provider	Springer Nature Link
Author	Gomes, Alex L. Casavas, Jordi Bertran, Oscar C. Campos, João Sinézio Armelin, Elaine Alemán, Carlos
Copyright Year	2011
Abstract	The electronic structure of poly(thiophene-3-methyl acetate) has been investigated using UV–vis absorption spectroscopy and quantum mechanical calculations. Experimental measures in chloroform solution indicate that the π-conjugation length increases with the polymer concentration, which is reflected by the red shift of the absorbance peak of the π-π* transition. On the other hand, the energy required for the π-π* transition has been found to decrease with the volatility of the solvent for concentrated polymer solutions, even though the influence of the solvent is very small for dilute solutions. Quantum mechanical calculations indicate that the interactions between the π-conjugated backbone and the methyl acetate side groups are very weak. On the other hand, the lowest energy transition predicted for an infinite polymer chain that adopts the anti-gauche and all-anti conformations is 2.8 and 1.9 eV, respectively. Finally, measurements on spin-casted nanofilms reflect that the π-π* transition energy increases with the thickness, which has been attributed to the distortion of the molecular conformation. In spite of this, the energy gap obtained for the thinnest film (1.52 eV) is significantly smaller than that determined for dilute and concentrated chloroform solutions (2.56 and 2.09 eV, respectively). Figure The π-conjugation length and the energy required for the π-π* transition of poly(thiophene-3-methyl acetate) have been examined in different environments (i.e. gas-phase, dilute and concentrated solutions considering solvents with different polarity and volatility, and spin-casted nanofilms) using a combination of UV-vis spectroscopy and quantum mechanical calculations.
Starting Page	1509
Ending Page	1517
Page Count	9
File Format	PDF
ISSN	10229760
Journal	Journal of Polymer Research
Volume Number	18
Issue Number	6
e-ISSN	15728935
Language	English
Publisher	Springer Netherlands
Publisher Date	2011-01-11
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Conducting polymers Polythiophene UV–vis spectroscopy Quantum chemistry Conjugation Polymer Sciences Characterization and Evaluation of Materials Industrial Chemistry/Chemical Engineering
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Materials Chemistry Polymers and Plastics

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