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@ARTICLE{Kintzel:20017,
      author       = {Kintzel, E.J. and Kidder, M.K. and Buchanan, A.C. and
                      Britt, P.F. and Mamontov, E. and Zamponi, M. and Herwig,
                      K.W.},
      title        = {{D}ynamics of 1,3-diphenylpropane tethered to the interior
                      pore surfaces of {MCM}-41},
      journal      = {The journal of physical chemistry / C},
      volume       = {116},
      issn         = {1932-7447},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PreJuSER-20017},
      pages        = {923 - 932},
      year         = {2012},
      note         = {A portion of this research was performed at Oak Ridge
                      National Laboratory's Spallation Neutron Source which is
                      sponsored by the Scientific User Facilities Division, Office
                      of Basic Energy Sciences, U.S. Department of Energy. M.K.K,
                      P.F.B., and A.C.B.III, acknowledge the support of the
                      Division of Chemical Sciences, Geosciences, and Biosciences,
                      Office of Basic Energy Sciences, U.S. Department of Energy.
                      We also acknowledge the support of the National Institute of
                      Standards and Technology, U.S. Department of Commerce, in
                      providing some of the neutron research facilities used in
                      this work. This work utilized facilities supported in part
                      by the National Science Foundation under Agreement No.
                      DMR-094477. We would like to acknowledge the assistance of
                      A.T. Ruffin in early data analysis and would like to thank
                      A. L. Chaffee for fruitful discussions and the kind use of
                      the images used in Figure 4.},
      abstract     = {The diffusive motions of covalently tethered
                      1,3-diphenylpropane (DPP) via a silyl-aryl-ether linkage in
                      the mesopores of MCM-41 were studied by quasielastic neutron
                      scattering. The geometric effect of pore radius was
                      investigated with samples having pores that ranged from 1.6
                      to 3.0 nm in diameter and highest achievable DPP grafting
                      density. The effect of molecular crowding was investigated
                      in 3.0 rim diameter pores for surface coverage ranging from
                      0.60 to 1.61 DPP/nm(2). Temperature dependence was
                      determined for large pore diameter samples from 240 to 370
                      K. As the DPP molecules remain attached over this entire
                      temperature range, data were analyzed in terms of a model of
                      localized diffusion inside a sphere. Only the motions of the
                      DPP hydrogen atoms were considered because of the high
                      sensitivity of neutron scattering to the presence of
                      hydrogen. As atoms far from the attachment point have a
                      greater range of motion than those nearer the tether, the
                      radius of the sphere limiting the motion of individual
                      hydrogen atoms was allowed to increase based on the atom's
                      distance from the tether point Both smaller pore diameters
                      and higher DPP grafting density resulted in larger amplitude
                      motion while the diffusion coefficient was greatest in the
                      largest pores at highest DPP density. These observations
                      support a model where the DPP molecules prefer an
                      orientation allowing close proximity to the MCM-41 pore
                      surface and are forced into the pore interior by either the
                      steric effect of small pore diameter or by increased
                      competition for surface area at high molecule surface
                      coverage.},
      keywords     = {J (WoSType)},
      cin          = {ICS-1 / JCNS (München) ; Jülich Centre for Neutron
                      Science JCNS (München) ; JCNS-FRM-II / JCNS-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICS-1-20110106 /
                      I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-1-20110106},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung / Großgeräte für die Forschung
                      mit Photonen, Neutronen und Ionen (PNI)},
      pid          = {G:(DE-Juel1)FUEK505 / G:(DE-Juel1)FUEK415},
      experiment   = {EXP:(DE-MLZ)External-20140101},
      shelfmark    = {Chemistry, Physical / Nanoscience $\&$ Nanotechnology /
                      Materials Science, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000298978700113},
      doi          = {10.1021/jp209458a},
      url          = {https://juser.fz-juelich.de/record/20017},
}