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The regiospecific synthesis of 8-bromocamphor revisited – A DFT computational study

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Title: The regiospecific synthesis of 8-bromocamphor revisited – A DFT computational study
Authors: Sabbagh, Ingrid T.1, Kaye, Perry T. P.Kaye@ru.ac.za
Source: Journal of Molecular Structure: THEOCHEM. Dec2007, Vol. 847 Issue 1-3, p32-38. 7p.
Subjects: Camphor, Fourier transforms, Metathesis reactions, Catalysts
Abstract: Abstract: Access to 8-bromocamphor, a critical intermediate in the proposed synthesis of multidentate, camphor-derived ligands for the construction of novel metathesis catalysts, requires regioselective bromination of d-(+)-camphor. A computational study, using the Accelrys DFT code, DMol3, has provided new insights into the factors that appear to control the regioselective formation of 8-bromocamphor. [Copyright &y& Elsevier]
Copyright of Journal of Molecular Structure: THEOCHEM 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.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 27530989
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Label: Title
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  Data: The regiospecific synthesis of 8-bromocamphor revisited – A DFT computational study
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  Data: <searchLink fieldCode="AR" term="%22Sabbagh%2C+Ingrid+T%2E%22">Sabbagh, Ingrid T.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Kaye%2C+Perry+T%2E%22">Kaye, Perry T.</searchLink><i> P.Kaye@ru.ac.za</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Structure%3A+THEOCHEM%22">Journal of Molecular Structure: THEOCHEM</searchLink>. Dec2007, Vol. 847 Issue 1-3, p32-38. 7p.
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  Data: <searchLink fieldCode="DE" term="%22Camphor%22">Camphor</searchLink><br /><searchLink fieldCode="DE" term="%22Fourier+transforms%22">Fourier transforms</searchLink><br /><searchLink fieldCode="DE" term="%22Metathesis+reactions%22">Metathesis reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Catalysts%22">Catalysts</searchLink>
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  Label: Abstract
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  Data: Abstract: Access to 8-bromocamphor, a critical intermediate in the proposed synthesis of multidentate, camphor-derived ligands for the construction of novel metathesis catalysts, requires regioselective bromination of d-(+)-camphor. A computational study, using the Accelrys DFT code, DMol3, has provided new insights into the factors that appear to control the regioselective formation of 8-bromocamphor. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Journal of Molecular Structure: THEOCHEM 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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    Identifiers:
      – Type: doi
        Value: 10.1016/j.theochem.2007.08.033
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      – Code: eng
        Text: English
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      Pagination:
        PageCount: 7
        StartPage: 32
    Subjects:
      – SubjectFull: Camphor
        Type: general
      – SubjectFull: Fourier transforms
        Type: general
      – SubjectFull: Metathesis reactions
        Type: general
      – SubjectFull: Catalysts
        Type: general
    Titles:
      – TitleFull: The regiospecific synthesis of 8-bromocamphor revisited – A DFT computational study
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            NameFull: Sabbagh, Ingrid T.
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            NameFull: Kaye, Perry T.
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            – D: 20
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              Text: Dec2007
              Type: published
              Y: 2007
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              Value: 847
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            – TitleFull: Journal of Molecular Structure: THEOCHEM
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