Back to Search
Start Over
Thermal Elimination of Precursors to Poly(phenylenevinylene) with a Macrocounterion versus a Small Counterion: A Coordinated Experimental and Simulation Study.
- Source :
-
Macromolecules . Sep2011, Vol. 44 Issue 17, p6663-6668. 6p. - Publication Year :
- 2011
-
Abstract
- Coordinated experimental and orthogonal space random walk (OSRW) molecular dynamics simulation studies were performed to understand the exceptionally low temperature required for thermal conversion of a poly(phenylenevinylene) (PPV) precursor containing the macromolecular counterion poly(ethylene glycol)-4-nonylphenyl-3-sulfopropyl ether (PEGNOPS). Simulations of this solvent-free system converged for starting points where the backbone was artificially expanded or compressed. In this example of a polymer organized by a polymer, the simulations revealed the ability of PEGNOPS to partially preorder the precursor chain in a conformation that favors the E2 elimination pathway. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00249297
- Volume :
- 44
- Issue :
- 17
- Database :
- Academic Search Index
- Journal :
- Macromolecules
- Publication Type :
- Academic Journal
- Accession number :
- 65259614
- Full Text :
- https://doi.org/10.1021/ma200930d