A DFT/TDDFT modelling of bithiophene azo chromophores for optoelectronic applications

Rajadurai Vijay Solomon, Rajangam Jagadeesan, Swaminathan Angeline Vedha, Ponnambalam Venuvanalingam
  • Dyes and Pigments, January 2014, Elsevier
  • DOI: 10.1016/j.dyepig.2013.09.016

Designing Bithiophene Azo Chromophores

What is it about?

How Acceptor Groups change the UV-visible spectra of Bithiophene Azo based molecules. DFT/TDDFT calculations explains the electronic structure of these molecules.

Why is it important?

Azo groups are more common in organic synthesis, here we have given useful clues to design newer biothiophene azo molecules. This is very important to understand the nature of push-pull nature present in these organic molecules.

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http://dx.doi.org/10.1016/j.dyepig.2013.09.016

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