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Reinvestigation of “Single-Crystal X-ray Structure of 1,3-dimethylcyclobutadiene”

Authors

  • Prof. Michael Shatruk,

    Corresponding author
    1. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Fl 32306 (USA)
    • Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Fl 32306 (USA)
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  • Prof. Igor V. Alabugin

    Corresponding author
    1. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Fl 32306 (USA)
    • Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Fl 32306 (USA)
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Abstract

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An alternative explanation: The recent manuscript by Barboiu et al. claims trapping of photochemically generated 1,3-dimethylcyclobutadiene within a hemicarcerand host and determination of its crystal structure. Herein an alternative structural model is offered that demonstrates one does not need to invoke unconventional and highly unstable species to satisfactorily explain the observed electron density in the host cavity.

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