Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties

Raphael J.F. Berger, Daniel Rettenwander, Stefan Spirk, Christian Wolf, Michael Patzschke, Martin Ertl, Uwe Monkowius, Norbert W. Mitzel

    Research output: Contribution to journalArticleResearchpeer-review

    Abstract

    Relativistic effects in triphenylbismuth have been investigated using a combined experimental and theoretical approach. The influence of these effects on the molecular structure (determined by gas electron diffraction) has been evaluated by means of quantum chemical calculations which consider scalar-relativistic and relativistic effects causing electronic spin-orbit coupling. Besides the molecular structure, different types of spectroscopic techniques (IR, NMR, UV-vis) have been applied and their results have been set in contrast with the results derived from quantum chemical calculations.

    Original languageEnglish
    Pages (from-to)15520-15524
    Number of pages5
    JournalPhysical Chemistry Chemical Physics
    Volume14
    Issue number44
    DOIs
    Publication statusPublished - 28 Nov 2012

    Fingerprint

    relativistic effects
    Molecular structure
    molecular structure
    Electron diffraction
    Orbits
    electron diffraction
    Nuclear magnetic resonance
    scalars
    orbits
    nuclear magnetic resonance
    electronics
    gases
    triphenyl bismuth

    ASJC Scopus subject areas

    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

    Cite this

    Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties. / Berger, Raphael J.F.; Rettenwander, Daniel; Spirk, Stefan; Wolf, Christian; Patzschke, Michael; Ertl, Martin; Monkowius, Uwe; Mitzel, Norbert W.

    In: Physical Chemistry Chemical Physics, Vol. 14, No. 44, 28.11.2012, p. 15520-15524.

    Research output: Contribution to journalArticleResearchpeer-review

    Berger, Raphael J.F. ; Rettenwander, Daniel ; Spirk, Stefan ; Wolf, Christian ; Patzschke, Michael ; Ertl, Martin ; Monkowius, Uwe ; Mitzel, Norbert W. / Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties. In: Physical Chemistry Chemical Physics. 2012 ; Vol. 14, No. 44. pp. 15520-15524.
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