title: Synthesis and conformation of 3,6-connected cyclohexadiene chains.
abstract: 3,6-Connected cyclohexadienes as precursors for polyphenylenes are synthesized and characterized by mass spectrometry and NMR spectroscopy. Pure fractions of trimers, hexamers, and nonamers are collected after separation of the product mixture by recycling GPC. The anticipated formation of rigid linear structures, due to the trans-configuration of the monomeric units, is supported by density functional theory and experimentally confirmed by dynamic light scattering from dilute solution at low scattering angles. The obtained translational diffusion coefficients are represented by rigid rod-like or prolate ellipsoid-like molecular shapes. The measurements of diffusion coefficients reveal a length-dependent ratio of 1:2:3 between the three oligomers, which directly correlates to the expected length extension from trimer to nonamer.
authors.affiliation: Max Planck Institute for Polymer Research, Ackermannweg 10, 55128, Mainz, Germany.|Graduate School Materials Science in Mainz, Staudinger Weg 9, 55128, Mainz, Germany.
authors.forename: Florian E
authors.initials: FE
authors.lastname: Golling
authors.affiliation: Max Planck Institute for Polymer Research, Ackermannweg 10, 55128, Mainz, Germany.
authors.forename: Amelie H R
authors.initials: AH
authors.lastname: Koch
authors.affiliation: Max Planck Institute for Polymer Research, Ackermannweg 10, 55128, Mainz, Germany.|Department of Materials Science, University of Crete and IESL/FO.R.T.H, P.O. Box 1527, 71110, Heraklion, Greece.
authors.forename: George
authors.initials: G
authors.lastname: Fytas
authors.affiliation: Max Planck Institute for Polymer Research, Ackermannweg 10, 55128, Mainz, Germany.
authors.forename: Klaus
authors.initials: K
authors.lastname: Müllen
mesh_terms: D053138:Cyclohexenes / Q000138:chemical synthesis*; D004058:Diffusion; D008027:Light; D008968:Molecular Conformation; D011108:Polymers / Q000138:chemical synthesis*; D011789:Quantum Theory; D012542:Scattering, Radiation; D012996:Solutions
chemical_list: D053138:Cyclohexenes; D011108:Polymers; D012996:Solutions; C041325:polyphenylene sulfide
keywords: density functional theory (DFT); dynamic light scattering (DLS); poly(para-phenylene); rigid oligomers