A theoretical study of poly(p-phenylenes) and their cyclodextrin-based insaluted molecular wires

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  • Presentation type: Exposição de Pôster
  • Track: Química Teórica - TEO
  • Keywords: Conjugated polymers; DFT; HOMO-LUMO gap; Push-pull groups; Molecular electronic devices;

Authors:

  • 1 Departamento de Ciências Naturais / Campus Dom Bosco / Universidade Federal de São João del-Rei
  • 2 Universidade Federal de São João del-Rei

A theoretical study of poly(p-phenylenes) and their cyclodextrin-based insaluted molecular wires

Paulo Henrique de Sousa Paulino

Departamento de Ciências Naturais / Campus Dom Bosco / Universidade Federal de São João del-Rei

Abstract

*HOMO-LUMO gaps were obtained before and after the encapsulation process of the PPP oligomers into the β-CD tubes.
*The conductive properties of PPPs are maintained when they are covered by CDs.

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Author

Paulo Henrique de Sousa Paulino

Obrigado!

Author

Paulo Henrique de Sousa Paulino

Olá Mariane, obrigado pelo elogio e interação. Infelizmente não temos o LinkedIn, mas você pode entrar em contato por e-mail, o do meu orientador é [email protected]. Acredito que com ele você poderá discutir melhor sobre as ciclodextrinas.