Dependence of the vibrational frequencies and intensities on the configuration of polyacrylonitrile: an ab initio study on model oligomers
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Cited by (8)
Polymer-nanoinclusion interactions in carbon nanotube based polyacrylonitrile extruded and electrospun fibers
2007, PolymerCitation Excerpt :With respect to the –CN group, theoretical studies of the valence electronic levels of acrylonitrile oligomers are limited to relatively short polymeric chains. Model isotactic and syndiotactic chains with 2,4 and 6 acrylonitrile units were investigated, particularly emphasizing the dependence of πzCN levels on increasing unit count and polymer tacticity [39,53]. The pz orbitals contributing to those levels are parallel to the carbon backbone of the chain and the pz orbitals of two neighboring –CN groups interact strongly in the case of isotactic oligomers, leading to a large energy level splitting between the two πzCN levels [39].
Molecule-to-metal bonds: Electrografting polymers on conducting surfaces
2004, ChemPhysChem
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