On the fluorescence of pyrrole derivative oligomer
✍ Scribed by Jeconias Rocha Guimarães; Jarlesson Gama Amazonas; Carlos Alberto Brito Silva Junior; Celso P. de Melo; Bernardo Laks; Jordan Del Nero
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 550 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0928-4931
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✦ Synopsis
In this work we have investigated the ground state and others eletronic properties of the biosensor 3-methyl pyrrole-4-carboxilic acid (MPC) oligomers and related compounds. We considered the systems described by a DFT/B3LYP/6-31G* type Hamiltonian and explored the effects due to the presence of conformational defects. Furthermore the excited states have been determined by a post Hartree-Fock CI methodology.
The results revealed the existence of different electronic patterns for the MPC if compared to the ones existing for the oligopyrrole derivative systems. The response of one of investigated polymers (MPC) was found to be critically dependent on the radicals linked to the studied oligomer chain structure so that the electronic structure analyses should be easily improved by choosing a proper set of preparation parameters to design conducting polymers with desirable properties.
📜 SIMILAR VOLUMES
## Abstract The kinetics of oligomer binding to a polymer are treated in the approximation that the internal states of the oligomer–polymer complex equilibrate rapidly compared with the rate of binding. In that case one can use equilibrium statistical mechanics to give the density of appropriate bi