- Here, we report the mechanochemical reactivity of the highly strained pentacyclic hydrocarbon cubane. The mechanical reactivity of cubane is explored for three regioisomers with 1,2-, 1,3- and 1,4-substituted pulling attachments. Whereas all compounds can be activated thermally, mechanical activation is observed via pulsed ultrasonication of cubane-containing polymers only when force is applied via 1,2-attachment. The single observed product of the force-coupled reaction is a thermally inaccessible syn-tricyclooctadiene, in contrast to cyclooctatetraene (observed thermally) or a pair of cyclobutadienes that would result from sequential cyclobutane scission. We further quantify the mechano-chemical reactivity of cubane by single molecule force spectroscopy, and force-coupled rate constants for ring opening reach ... [Read More]
- Total Size
- 2 files (3.14 MB)
- Data Citation
- Wang, L., Zheng, X., Kouznetsova, T. B. , Yen, T., Ouchi, T., Brown, C. L., Craig, S. L. (2022). Data from: Mechanochemistry of cubane. Duke Research Data Repository. https://doi.org/10.7924/r47h1r86c
- Creator
- DOI
- 10.7924/r47h1r86c
- Publication Date
- December 6, 2022
- ARK
- ark:/87924/r47h1r86c
- Affiliation
- Publisher
- Type
- Related Materials
- Funding Agency
- Duke University
- National Science Foundation
- Grant Number
- CHE-1808518
- Contact
- Stephen L. Craig, stephen.craig@duke.edu, https://orcid.org/0000-0002-8810-0369
- Title
- Data from: Mechanochemistry of cubane
- Repository
| Thumbnail | Title | Date Uploaded | Visibility | Actions |
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README.txt | 2022-12-06 | Download | |
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1,2-dimethylcubane-step1-profile.Prof.M0001.spartan | 2022-12-06 | Download |