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Structures and hyperfine properties of ferrocene muonium adducts

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Title: Structures and hyperfine properties of ferrocene muonium adducts
Authors: Macrae, Roderick M.1 rmacrae@marian.edu
Source: Physica B. Mar2006, Vol. 374-375, p307-309. 3p.
Subjects: Muon spin rotation, Hyperfine structure, Magnetic properties, Magnetism
Abstract: Abstract: The existence of multiple paramagnetic muonium adducts to ferrocene was first reported by Jayasooriya et al. in 1997, based on the presence of more than one component in the muon''s spin relaxation (U.A. Jayasooriya, J.A. Stride, G.M. Aston, Appl. Magn. Reson. 13 (1997) 165.) Interpretation of the data was based on a model involving three paramagnetic species, assigned to two cyclopentadienyl ring adducts and a radical in which Mu binds directly to the metal. In this work, these species are studied by density functional methods. All three adducts are found to be stable in the staggered (antiprismatic) ring geometry, with the cyclopentadienyl adduct favored energetically by . No evidence is found for an agostic species of the type known for protonated ferrocenes. Computed values of show strong method-dependence attributed to spin polarization and spin contamination effects. [Copyright &y& Elsevier]
Copyright of Physica B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 20029724
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  Data: Structures and hyperfine properties of ferrocene muonium adducts
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  Data: <searchLink fieldCode="AR" term="%22Macrae%2C+Roderick+M%2E%22">Macrae, Roderick M.</searchLink><relatesTo>1</relatesTo><i> rmacrae@marian.edu</i>
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  Data: <searchLink fieldCode="JN" term="%22Physica+B%22">Physica B</searchLink>. Mar2006, Vol. 374-375, p307-309. 3p.
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  Data: <searchLink fieldCode="DE" term="%22Muon+spin+rotation%22">Muon spin rotation</searchLink><br /><searchLink fieldCode="DE" term="%22Hyperfine+structure%22">Hyperfine structure</searchLink><br /><searchLink fieldCode="DE" term="%22Magnetic+properties%22">Magnetic properties</searchLink><br /><searchLink fieldCode="DE" term="%22Magnetism%22">Magnetism</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: Abstract: The existence of multiple paramagnetic muonium adducts to ferrocene was first reported by Jayasooriya et al. in 1997, based on the presence of more than one component in the muon''s spin relaxation (U.A. Jayasooriya, J.A. Stride, G.M. Aston, Appl. Magn. Reson. 13 (1997) 165.) Interpretation of the data was based on a model involving three paramagnetic species, assigned to two cyclopentadienyl ring adducts and a radical in which Mu binds directly to the metal. In this work, these species are studied by density functional methods. All three adducts are found to be stable in the staggered (antiprismatic) ring geometry, with the cyclopentadienyl adduct favored energetically by . No evidence is found for an agostic species of the type known for protonated ferrocenes. Computed values of show strong method-dependence attributed to spin polarization and spin contamination effects. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Physica B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.1016/j.physb.2005.11.080
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      – Code: eng
        Text: English
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        StartPage: 307
    Subjects:
      – SubjectFull: Muon spin rotation
        Type: general
      – SubjectFull: Hyperfine structure
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      – SubjectFull: Magnetic properties
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      – SubjectFull: Magnetism
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      – TitleFull: Structures and hyperfine properties of ferrocene muonium adducts
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              Text: Mar2006
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