---
_id: '41211'
abstract:
- lang: eng
  text: "A multiple scattering extended X-ray absorption fine structure (EXAFS)\r\nanalysis
    of Ti(acac)<jats:sub>2</jats:sub>Cl<jats:sub>2</jats:sub> is presented. With such
    an approach\r\nthe configuration of the ligands in this complex can be identified
    due\r\nto the different multiple scattering events in the <jats:italic>cis</jats:italic>-
    and\r\n<jats:italic>trans</jats:italic>-configuration. A thorough evaluation of
    the effects of\r\nthe different multiple scattering parameters (effective scattering\r\npath,
    scattering order, number of scattering atoms) in combination\r\nwith the input
    structure is presented that reveals a complicated\r\ncorrelation between these
    parameters which could lead to wrong results\r\nwith respect to the determined
    configuration. Finally, the optimal\r\nprocedure for this particular purpose is
    defined and described."
author:
- first_name: Matthias
  full_name: Bauer, Matthias
  id: '47241'
  last_name: Bauer
  orcid: 0000-0002-9294-6076
citation:
  ama: 'Bauer M. Configuration Determination of Transition Metal Complexes by Multiple
    Scattering EXAFS Analysis: A Case Study. <i>Zeitschrift für Physikalische Chemie</i>.
    2014;228(10-12):1077-1088. doi:<a href="https://doi.org/10.1515/zpch-2014-0623">10.1515/zpch-2014-0623</a>'
  apa: 'Bauer, M. (2014). Configuration Determination of Transition Metal Complexes
    by Multiple Scattering EXAFS Analysis: A Case Study. <i>Zeitschrift Für Physikalische
    Chemie</i>, <i>228</i>(10–12), 1077–1088. <a href="https://doi.org/10.1515/zpch-2014-0623">https://doi.org/10.1515/zpch-2014-0623</a>'
  bibtex: '@article{Bauer_2014, title={Configuration Determination of Transition Metal
    Complexes by Multiple Scattering EXAFS Analysis: A Case Study}, volume={228},
    DOI={<a href="https://doi.org/10.1515/zpch-2014-0623">10.1515/zpch-2014-0623</a>},
    number={10–12}, journal={Zeitschrift für Physikalische Chemie}, publisher={Walter
    de Gruyter GmbH}, author={Bauer, Matthias}, year={2014}, pages={1077–1088} }'
  chicago: 'Bauer, Matthias. “Configuration Determination of Transition Metal Complexes
    by Multiple Scattering EXAFS Analysis: A Case Study.” <i>Zeitschrift Für Physikalische
    Chemie</i> 228, no. 10–12 (2014): 1077–88. <a href="https://doi.org/10.1515/zpch-2014-0623">https://doi.org/10.1515/zpch-2014-0623</a>.'
  ieee: 'M. Bauer, “Configuration Determination of Transition Metal Complexes by Multiple
    Scattering EXAFS Analysis: A Case Study,” <i>Zeitschrift für Physikalische Chemie</i>,
    vol. 228, no. 10–12, pp. 1077–1088, 2014, doi: <a href="https://doi.org/10.1515/zpch-2014-0623">10.1515/zpch-2014-0623</a>.'
  mla: 'Bauer, Matthias. “Configuration Determination of Transition Metal Complexes
    by Multiple Scattering EXAFS Analysis: A Case Study.” <i>Zeitschrift Für Physikalische
    Chemie</i>, vol. 228, no. 10–12, Walter de Gruyter GmbH, 2014, pp. 1077–88, doi:<a
    href="https://doi.org/10.1515/zpch-2014-0623">10.1515/zpch-2014-0623</a>.'
  short: M. Bauer, Zeitschrift Für Physikalische Chemie 228 (2014) 1077–1088.
date_created: 2023-01-31T14:32:43Z
date_updated: 2023-01-31T14:39:50Z
department:
- _id: '306'
doi: 10.1515/zpch-2014-0623
intvolume: '       228'
issue: 10-12
keyword:
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 1077-1088
publication: Zeitschrift für Physikalische Chemie
publication_identifier:
  issn:
  - 0942-9352
  - 2196-7156
publication_status: published
publisher: Walter de Gruyter GmbH
status: public
title: 'Configuration Determination of Transition Metal Complexes by Multiple Scattering
  EXAFS Analysis: A Case Study'
type: journal_article
user_id: '48467'
volume: 228
year: '2014'
...
---
_id: '35341'
abstract:
- lang: eng
  text: "<jats:title>Abstract</jats:title>\r\n               <jats:p>Flow fields and
    shear-induced structures in the lamellar (L<jats:sub>\r\n                     <jats:italic>α</jats:italic>\r\n
    \                 </jats:sub>) phase of the system triethylene glycol mono <jats:italic>n</jats:italic>-decyl
    ether (C<jats:sub>10</jats:sub>E<jats:sub>3</jats:sub>)/water were investigated
    by NMR velocimetry, diffusometry, and <jats:italic />\r\n                  <jats:sup>2</jats:sup>\r\n
    \                 <jats:italic />H NMR spectroscopy. The transformation from multilamellar
    vesicles (MLVs) to aligned planar lamellae is accompanied by a transient gradient
    shear banding. A high-shear-rate band of aligned lamellae forms next to the moving
    inner wall of the cylindrical Couette shear cell while a low-shear-rate band of
    the initial MLV structure remains close to the outer stationary wall. The band
    of layers grows at the expense of the band of MLVs until the transformation is
    completed. This process scales with the applied strain. Wall slip is a characteristic
    of the MLV state, while aligned layers show no deviation from Newtonian flow.
    The homogeneous nature of the opposite transformation from well aligned layers
    to MLVs <jats:italic>via</jats:italic> an intermediate structure resembling undulated
    multilamellar cylinders is confirmed. The strain dependence of this transformation
    appears to be independent of temperature. The shear diagram, which represents
    the shear-induced structures as a function of temperature and shear rate, contains
    a transition region between stable layers and stable MLVs. The steady-state structures
    in the transition region show a continuous change from layer-like at high temperature
    to MLV-like at lower temperature. These structures are homogeneous on a length
    scale above a few micrometers.</jats:p>"
article_type: original
author:
- first_name: Bruno
  full_name: Medronho, Bruno
  last_name: Medronho
- first_name: Ulf
  full_name: Olsson, Ulf
  last_name: Olsson
- first_name: Claudia
  full_name: Schmidt, Claudia
  id: '466'
  last_name: Schmidt
  orcid: 0000-0003-3179-9997
- first_name: Petrik
  full_name: Galvosas, Petrik
  last_name: Galvosas
citation:
  ama: Medronho B, Olsson U, Schmidt C, Galvosas P. Transient and Steady-State Shear
    Banding in a Lamellar Phase as Studied by Rheo-NMR. <i>Zeitschrift für Physikalische
    Chemie</i>. 2012;226(11-12):1293-1314. doi:<a href="https://doi.org/10.1524/zpch.2012.0313">10.1524/zpch.2012.0313</a>
  apa: Medronho, B., Olsson, U., Schmidt, C., &#38; Galvosas, P. (2012). Transient
    and Steady-State Shear Banding in a Lamellar Phase as Studied by Rheo-NMR. <i>Zeitschrift
    Für Physikalische Chemie</i>, <i>226</i>(11–12), 1293–1314. <a href="https://doi.org/10.1524/zpch.2012.0313">https://doi.org/10.1524/zpch.2012.0313</a>
  bibtex: '@article{Medronho_Olsson_Schmidt_Galvosas_2012, title={Transient and Steady-State
    Shear Banding in a Lamellar Phase as Studied by Rheo-NMR}, volume={226}, DOI={<a
    href="https://doi.org/10.1524/zpch.2012.0313">10.1524/zpch.2012.0313</a>}, number={11–12},
    journal={Zeitschrift für Physikalische Chemie}, publisher={Walter de Gruyter GmbH},
    author={Medronho, Bruno and Olsson, Ulf and Schmidt, Claudia and Galvosas, Petrik},
    year={2012}, pages={1293–1314} }'
  chicago: 'Medronho, Bruno, Ulf Olsson, Claudia Schmidt, and Petrik Galvosas. “Transient
    and Steady-State Shear Banding in a Lamellar Phase as Studied by Rheo-NMR.” <i>Zeitschrift
    Für Physikalische Chemie</i> 226, no. 11–12 (2012): 1293–1314. <a href="https://doi.org/10.1524/zpch.2012.0313">https://doi.org/10.1524/zpch.2012.0313</a>.'
  ieee: 'B. Medronho, U. Olsson, C. Schmidt, and P. Galvosas, “Transient and Steady-State
    Shear Banding in a Lamellar Phase as Studied by Rheo-NMR,” <i>Zeitschrift für
    Physikalische Chemie</i>, vol. 226, no. 11–12, pp. 1293–1314, 2012, doi: <a href="https://doi.org/10.1524/zpch.2012.0313">10.1524/zpch.2012.0313</a>.'
  mla: Medronho, Bruno, et al. “Transient and Steady-State Shear Banding in a Lamellar
    Phase as Studied by Rheo-NMR.” <i>Zeitschrift Für Physikalische Chemie</i>, vol.
    226, no. 11–12, Walter de Gruyter GmbH, 2012, pp. 1293–314, doi:<a href="https://doi.org/10.1524/zpch.2012.0313">10.1524/zpch.2012.0313</a>.
  short: B. Medronho, U. Olsson, C. Schmidt, P. Galvosas, Zeitschrift Für Physikalische
    Chemie 226 (2012) 1293–1314.
date_created: 2023-01-06T13:08:15Z
date_updated: 2023-01-07T10:43:42Z
department:
- _id: '2'
- _id: '315'
doi: 10.1524/zpch.2012.0313
intvolume: '       226'
issue: 11-12
keyword:
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 1293-1314
publication: Zeitschrift für Physikalische Chemie
publication_identifier:
  issn:
  - 2196-7156
  - 0942-9352
publication_status: published
publisher: Walter de Gruyter GmbH
quality_controlled: '1'
status: public
title: Transient and Steady-State Shear Banding in a Lamellar Phase as Studied by
  Rheo-NMR
type: journal_article
user_id: '466'
volume: 226
year: '2012'
...
---
_id: '41983'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>The present work is a comparative
    study on the scattering behaviour of hollow and filled rectangular parallelepipeds.
    Comparison is based on the model formfactors of rectangular parallelepipeds, which
    cover the entire regime of variable wall thickness. The entire regime of wall
    thicknesses has been made available by the present work, which completed the set
    of formulas by calculating the formfactor for the limit of hollow parallelepipeds
    with infinitely thin walls, which was still lacking. The formfactors are expressed
    as a function of the momentum transfer<jats:italic>q</jats:italic>. Discrimination
    between massive and hollow structures by means of the<jats:italic>q</jats:italic>-dependent
    scattering data<jats:italic>SF(q)</jats:italic>gets possible once the Guinier
    radius and the particle volume can be established at the lower limit of<jats:italic>q</jats:italic>or
    a power law of<jats:italic>SF(q)</jats:italic>∼<jats:italic>q</jats:italic><jats:sup><jats:italic>α</jats:italic></jats:sup>can
    be extracted towards large<jats:italic>q</jats:italic>. Whereas the former requires
    extrapolation of the scattering data to<jats:italic>q</jats:italic>= 0 with high
    accuracy, the latter needs experiments over a very broad<jats:italic>q</jats:italic>-regime.
    If experimental data is restricted to a<jats:italic>q</jats:italic>-regime which
    includes only the first peak in a Kratky representation of<jats:italic>q</jats:italic><jats:sup>2</jats:sup><jats:italic>SF(q)</jats:italic><jats:italic>vs.</jats:italic><jats:italic>q</jats:italic>without
    giving way to an accurate extrapolation to<jats:italic>q</jats:italic>= 0 nor
    to a clear power law in<jats:italic>q</jats:italic>, discrimination between a
    hollow and a massive structure gets extremely difficult. Yet, the effect of anisometry
    is striking and enables extraction of a crude guess of the degree of anisometry
    already from the first Kratky peak. This could be achieved by introducing a dimensionless
    parameter established from the width and location of the first Kratky peak.</jats:p>
author:
- first_name: Roman
  full_name: Nayuk, Roman
  last_name: Nayuk
- first_name: Klaus
  full_name: Huber, Klaus
  id: '237'
  last_name: Huber
citation:
  ama: Nayuk R, Huber K. Formfactors of Hollow and Massive Rectangular Parallelepipeds
    at Variable Degree of Anisometry. <i>Zeitschrift für Physikalische Chemie</i>.
    2012;226(7-8):837-854. doi:<a href="https://doi.org/10.1524/zpch.2012.0257">10.1524/zpch.2012.0257</a>
  apa: Nayuk, R., &#38; Huber, K. (2012). Formfactors of Hollow and Massive Rectangular
    Parallelepipeds at Variable Degree of Anisometry. <i>Zeitschrift Für Physikalische
    Chemie</i>, <i>226</i>(7–8), 837–854. <a href="https://doi.org/10.1524/zpch.2012.0257">https://doi.org/10.1524/zpch.2012.0257</a>
  bibtex: '@article{Nayuk_Huber_2012, title={Formfactors of Hollow and Massive Rectangular
    Parallelepipeds at Variable Degree of Anisometry}, volume={226}, DOI={<a href="https://doi.org/10.1524/zpch.2012.0257">10.1524/zpch.2012.0257</a>},
    number={7–8}, journal={Zeitschrift für Physikalische Chemie}, publisher={Walter
    de Gruyter GmbH}, author={Nayuk, Roman and Huber, Klaus}, year={2012}, pages={837–854}
    }'
  chicago: 'Nayuk, Roman, and Klaus Huber. “Formfactors of Hollow and Massive Rectangular
    Parallelepipeds at Variable Degree of Anisometry.” <i>Zeitschrift Für Physikalische
    Chemie</i> 226, no. 7–8 (2012): 837–54. <a href="https://doi.org/10.1524/zpch.2012.0257">https://doi.org/10.1524/zpch.2012.0257</a>.'
  ieee: 'R. Nayuk and K. Huber, “Formfactors of Hollow and Massive Rectangular Parallelepipeds
    at Variable Degree of Anisometry,” <i>Zeitschrift für Physikalische Chemie</i>,
    vol. 226, no. 7–8, pp. 837–854, 2012, doi: <a href="https://doi.org/10.1524/zpch.2012.0257">10.1524/zpch.2012.0257</a>.'
  mla: Nayuk, Roman, and Klaus Huber. “Formfactors of Hollow and Massive Rectangular
    Parallelepipeds at Variable Degree of Anisometry.” <i>Zeitschrift Für Physikalische
    Chemie</i>, vol. 226, no. 7–8, Walter de Gruyter GmbH, 2012, pp. 837–54, doi:<a
    href="https://doi.org/10.1524/zpch.2012.0257">10.1524/zpch.2012.0257</a>.
  short: R. Nayuk, K. Huber, Zeitschrift Für Physikalische Chemie 226 (2012) 837–854.
date_created: 2023-02-10T14:24:02Z
date_updated: 2023-02-10T14:24:25Z
department:
- _id: '314'
doi: 10.1524/zpch.2012.0257
intvolume: '       226'
issue: 7-8
keyword:
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 837-854
publication: Zeitschrift für Physikalische Chemie
publication_identifier:
  issn:
  - 2196-7156
  - 0942-9352
publication_status: published
publisher: Walter de Gruyter GmbH
status: public
title: Formfactors of Hollow and Massive Rectangular Parallelepipeds at Variable Degree
  of Anisometry
type: journal_article
user_id: '237'
volume: 226
year: '2012'
...
---
_id: '41274'
abstract:
- lang: eng
  text: "<jats:title>Abstract</jats:title>\r\n               <jats:p>Yttrium methoxyethoxide
    Y(OEtOMe)<jats:sub>3</jats:sub> is an important precursor for the sol-gel preparation
    of Y<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>-containing materials. Its aggregation
    degree and the clusters, formed in solution of 2-methoxyethanol and modified by
    the         ligands Hacac, <jats:sup>\r\n                     <jats:italic>i</jats:italic>\r\n
    \                 </jats:sup>PrOH and THF are studied by means of EXAFS spectroscopy.
    The cluster geometries of the formed complexes deviate from the well-known         cyclic
    decameric structure of the crystalline solid Y(OEtOMe)<jats:sub>3</jats:sub>.
    A pentanuclear square-pyramidal framework, which was found for Y(OEtOMe)<jats:sub>3</jats:sub>,
    dissolved in 2-methoxyethanol in a previous study, is confirmed by a detailed
    discussion of the structural EXAFS parameters.         While the addition of the
    Lewis bases <jats:sup>\r\n                     <jats:italic>i</jats:italic>\r\n
    \                 </jats:sup>PrOH and THF does not change the aggregation degree
    and short range order of Y(OEtOMe)<jats:sub>3</jats:sub> in solution, chelating
    Hacac causes a stepwise degradation of the original pentameric metal framework.
    Details of the degradation         pathway as deduced from the EXAFS results are
    given, which could not be achieved by any other spectroscopic method so far.         The
    yttrium coordination number and third cumulants, which are necessary to account
    for asymmetry in the individual shells,         are used in order to identify
    structural changes of the samples in comparison with the initially formed Y<jats:sub>5</jats:sub>-complex.</jats:p>"
author:
- first_name: Matthias
  full_name: Bauer, Matthias
  id: '47241'
  last_name: Bauer
  orcid: 0000-0002-9294-6076
- first_name: Helmut
  full_name: Bertagnolli, Helmut
  last_name: Bertagnolli
citation:
  ama: 'Bauer M, Bertagnolli H. Alkoxide Clusters in Solution: An EXAFS Study of the
    Example Y(OEtOMe)<sub>3</sub> and the Degradation Induced by Structural Modifiers.
    <i>Zeitschrift für Physikalische Chemie</i>. 2009;223(8):877-893. doi:<a href="https://doi.org/10.1524/zpch.2009.5474">10.1524/zpch.2009.5474</a>'
  apa: 'Bauer, M., &#38; Bertagnolli, H. (2009). Alkoxide Clusters in Solution: An
    EXAFS Study of the Example Y(OEtOMe)<sub>3</sub> and the Degradation Induced by
    Structural Modifiers. <i>Zeitschrift Für Physikalische Chemie</i>, <i>223</i>(8),
    877–893. <a href="https://doi.org/10.1524/zpch.2009.5474">https://doi.org/10.1524/zpch.2009.5474</a>'
  bibtex: '@article{Bauer_Bertagnolli_2009, title={Alkoxide Clusters in Solution:
    An EXAFS Study of the Example Y(OEtOMe)<sub>3</sub> and the Degradation Induced
    by Structural Modifiers}, volume={223}, DOI={<a href="https://doi.org/10.1524/zpch.2009.5474">10.1524/zpch.2009.5474</a>},
    number={8}, journal={Zeitschrift für Physikalische Chemie}, publisher={Walter
    de Gruyter GmbH}, author={Bauer, Matthias and Bertagnolli, Helmut}, year={2009},
    pages={877–893} }'
  chicago: 'Bauer, Matthias, and Helmut Bertagnolli. “Alkoxide Clusters in Solution:
    An EXAFS Study of the Example Y(OEtOMe)<sub>3</sub> and the Degradation Induced
    by Structural Modifiers.” <i>Zeitschrift Für Physikalische Chemie</i> 223, no.
    8 (2009): 877–93. <a href="https://doi.org/10.1524/zpch.2009.5474">https://doi.org/10.1524/zpch.2009.5474</a>.'
  ieee: 'M. Bauer and H. Bertagnolli, “Alkoxide Clusters in Solution: An EXAFS Study
    of the Example Y(OEtOMe)<sub>3</sub> and the Degradation Induced by Structural
    Modifiers,” <i>Zeitschrift für Physikalische Chemie</i>, vol. 223, no. 8, pp.
    877–893, 2009, doi: <a href="https://doi.org/10.1524/zpch.2009.5474">10.1524/zpch.2009.5474</a>.'
  mla: 'Bauer, Matthias, and Helmut Bertagnolli. “Alkoxide Clusters in Solution: An
    EXAFS Study of the Example Y(OEtOMe)<sub>3</sub> and the Degradation Induced by
    Structural Modifiers.” <i>Zeitschrift Für Physikalische Chemie</i>, vol. 223,
    no. 8, Walter de Gruyter GmbH, 2009, pp. 877–93, doi:<a href="https://doi.org/10.1524/zpch.2009.5474">10.1524/zpch.2009.5474</a>.'
  short: M. Bauer, H. Bertagnolli, Zeitschrift Für Physikalische Chemie 223 (2009)
    877–893.
date_created: 2023-01-31T15:06:37Z
date_updated: 2023-01-31T15:06:43Z
department:
- _id: '306'
doi: 10.1524/zpch.2009.5474
intvolume: '       223'
issue: '8'
keyword:
- Physical and Theoretical Chemistry
language:
- iso: eng
page: 877-893
publication: Zeitschrift für Physikalische Chemie
publication_identifier:
  issn:
  - 2196-7156
  - 0942-9352
publication_status: published
publisher: Walter de Gruyter GmbH
status: public
title: 'Alkoxide Clusters in Solution: An EXAFS Study of the Example Y(OEtOMe)<sub>3</sub>
  and the Degradation Induced by Structural Modifiers'
type: journal_article
user_id: '48467'
volume: 223
year: '2009'
...