Synthesis of Strained Carbon Nanotube Fragments and a New Tool for Molecular Strain Analysis
Datum
2020-09-24
Autor:innen
Zeitschriftentitel
ISSN der Zeitschrift
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Verlag
University of Oregon
Zusammenfassung
Cycloparaphenylene technology has advanced significantly in recent years. From the initial synthesis to today, laboratories around the world have made small improvements that have accumulated into an efficient synthesis of these strained nanohoops. This has allowed us to confirm theoretical hypotheses about the optoelectronic properties that are resultant from the symmetry of frontier molecular orbitals. Furthermore, it has facilitated the synthesis of cycloparaphenylenes that have functional groups that further expand the cycloparaphenylene π systems on the road to larger fragments of carbon nanotubes. These functionalized cycloparaphenylenes are useful not only for extending the π system, but also for polymer synthesis and further functional materials that exploit cycloparaphenylene properties. In addition to exploiting optoelectronic properties, the strain could also be exploited, however, it is not intuitive where the strain is in these molecules. A new computational technique is described that locates the strain in strained macrocyclic molecules that helps to exploit strain productively. Together, these advances in cycloparaphenylene technology enable their wide and successful deployment.
Beschreibung
Schlagwörter
Aromatic Belt, Cycloparaphenylene, Nanohoop, StrainViz, Synthetic Organic Chemistry