000052533 001__ 52533
000052533 005__ 20250129094319.0
000052533 0247_ $$2DOI$$a10.1021/ma060370t
000052533 0247_ $$2WOS$$aWOS:000237721100034
000052533 0247_ $$2Handle$$a2128/1158
000052533 037__ $$aPreJuSER-52533
000052533 041__ $$aeng
000052533 082__ $$a540
000052533 084__ $$2WoS$$aPolymer Science
000052533 1001_ $$0P:(DE-HGF)0$$aGenix, A.-C.$$b0
000052533 245__ $$aLocal structure of syndiotactic poly(methyl methacrylate). A combined study by neutron diffraction with polarisation analysis and atomistic molecular dynamics simulations
000052533 260__ $$aWashington, DC$$bSoc.$$c2006
000052533 300__ $$a3947 - 3958
000052533 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000052533 3367_ $$2DataCite$$aOutput Types/Journal article
000052533 3367_ $$00$$2EndNote$$aJournal Article
000052533 3367_ $$2BibTeX$$aARTICLE
000052533 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000052533 3367_ $$2DRIVER$$aarticle
000052533 440_0 $$04142$$aMacromolecules$$v39$$x0024-9297
000052533 500__ $$aRecord converted from VDB: 12.11.2012
000052533 520__ $$aThe local structure of syndiotactic poly( methyl methacrylate) ( PMMA) has been investigated by combining neutron scattering and fully atomistic molecular dynamics simulations. Selectively deuterating parts of the PMMA monomer, we have accessed five different partial structure factors in the glassy state by neutrons, and polarization analysis has allowed isolating the coherent contribution to the total scattering. In addition, the temperature dependence of the static structure factor has been determined on the fully deuterated sample. The different measured partial structure factors show qualitatively different features with respect to peak positions and heights and provide a very critical check to validate the simulated structure. To gain deep insight into the structure, we have grouped the simulation results in terms of three molecular substructures: the main chain, the alpha-methyl group, and the ester side group. The study of the resulting partial structure functions has revealed the origin of the diffraction peaks, including those in the X-rays pattern reported in the literature. In addition, a real-space evaluation of the characteristic radial distribution functions has allowed separating intra- and interchain contributions to the total correlation functions. We have found that (i) PMMA exhibits a strong local order with an average main-chain distance of approximate to 8.6 angstrom, ( ii) this is the only average interchain distance and thus no precursor effect of a layered structure is found, (iii) the main chain shows a persisting all-trans structure, and (iv) a strong anticorrelation between the main chain and the ester side groups, together with an interdigitation of the side groups, suggests a marked separation between the backbone and the side-group spatial arrangements.
000052533 536__ $$0G:(DE-Juel1)FUEK414$$2G:(DE-HGF)$$aKondensierte Materie$$cP54$$x0
000052533 536__ $$0G:(DE-Juel1)FUEK415$$aGroßgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)$$cP55$$x1
000052533 588__ $$aDataset connected to Web of Science
000052533 650_7 $$2WoSType$$aJ
000052533 7001_ $$0P:(DE-HGF)0$$aArbe, A.$$b1
000052533 7001_ $$0P:(DE-HGF)0$$aAlvarez, F.$$b2
000052533 7001_ $$0P:(DE-HGF)0$$aColmenero, J.$$b3
000052533 7001_ $$0P:(DE-Juel1)130963$$aSchweika, W.$$b4$$uFZJ
000052533 7001_ $$0P:(DE-Juel1)130917$$aRichter, D.$$b5$$uFZJ
000052533 773__ $$0PERI:(DE-600)1491942-4$$a10.1021/ma060370t$$gVol. 39, p. 3947 - 3958$$p3947 - 3958$$q39<3947 - 3958$$tMacromolecules$$v39$$x0024-9297$$y2006
000052533 8567_ $$uhttp://hdl.handle.net/2128/1158$$uhttp://dx.doi.org/10.1021/ma060370t
000052533 8564_ $$uhttps://juser.fz-juelich.de/record/52533/files/82580.pdf$$yOpenAccess
000052533 8564_ $$uhttps://juser.fz-juelich.de/record/52533/files/82580.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess
000052533 8564_ $$uhttps://juser.fz-juelich.de/record/52533/files/82580.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000052533 8564_ $$uhttps://juser.fz-juelich.de/record/52533/files/82580.jpg?subformat=icon-640$$xicon-640$$yOpenAccess
000052533 909CO $$ooai:juser.fz-juelich.de:52533$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000052533 9131_ $$0G:(DE-Juel1)FUEK414$$bMaterie$$kP54$$lKondensierte Materie$$vKondensierte Materie$$x0$$zentfällt   bis 2009
000052533 9131_ $$0G:(DE-Juel1)FUEK415$$bStruktur der Materie$$kP55$$lGroßgeräteforschung mit Photonen, Neutronen und Ionen$$vGroßgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI)$$x1
000052533 9141_ $$y2006
000052533 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000052533 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000052533 9201_ $$0I:(DE-Juel1)VDB342$$d31.12.2006$$gIFF$$kIFF-ISM$$lStreumethoden$$x0
000052533 9201_ $$0I:(DE-Juel1)VDB341$$d31.12.2006$$gIFF$$kIFF-INS$$lNeutronenstreuung$$x1
000052533 970__ $$aVDB:(DE-Juel1)82580
000052533 9801_ $$aFullTexts
000052533 980__ $$aVDB
000052533 980__ $$aJUWEL
000052533 980__ $$aConvertedRecord
000052533 980__ $$ajournal
000052533 980__ $$aI:(DE-Juel1)PGI-4-20110106
000052533 980__ $$aI:(DE-Juel1)ICS-1-20110106
000052533 980__ $$aUNRESTRICTED
000052533 980__ $$aFullTexts
000052533 981__ $$aI:(DE-Juel1)JCNS-2-20110106
000052533 981__ $$aI:(DE-Juel1)IBI-8-20200312
000052533 981__ $$aI:(DE-Juel1)JCNS-1-20110106
000052533 981__ $$aI:(DE-Juel1)PGI-4-20110106
000052533 981__ $$aI:(DE-Juel1)ICS-1-20110106