Exploring the Threshold between Fullerenes and Nanotubes: Characterizing Isomerically Pure, Empty-Caged, and Tubular Fullerenes D5h-C90 and D5d-C100

Schüßlbauer C, Krug M, Ullrich T, Franklin HM, Stevenson S, Clark T, Guldi DM (2022)

Publication Type: Journal article

Publication year: 2022

Journal

Book Volume: 144

Pages Range: 10825-10829

Journal Issue: 24

DOI: 10.1021/jacs.2c02442

Abstract

We report the fully fledged photophysical characterization of isomerically pure, empty-caged, tubular fullerenes D5h-C90 and D5d-C100 and compare their key properties. In particular, the focus was on cage sizes between 60 and 150 carbon atoms with D3, D3d/h, and D5d/h symmetry. The optical band gap of D5d-C100 is 1.65 eV, which is larger than 1.37 eV of D5h-C90. In stark contrast to the nonluminescent D5h-C90, D5d-C100 luminesces at room temperature. Transient absorption spectroscopy shows that photoexcited D5d-C100 is subject to a slow intersystem crossing that generates a triplet excited state. In contrast, a fast, nonradiative internal conversion governs the deactivation of D5h-C90: In this case, exploring the corresponding triplet excited state required triplet-triplet sensitization experiments with anthracene. Density functional theory calculations revealed the electronic structure of the fullertubes, and calculations are consistent with our experimental findings. The calculated band gap systematically decreases with the number of carbon atoms within the D3 and D3d/h series. In contrast, an oscillating behavior is noted within the series of D5d/h fullertubes. Finally, photoexcited D5d-C100 was found to undergo hole transfer with electron-donating triethylamines readily but not electron transfer with electron-accepting methyl viologens.

Authors with CRIS profile

Involved external institutions

Purdue University Fort Wayne United States (USA) (US)

How to cite

APA:

Schüßlbauer, C., Krug, M., Ullrich, T., Franklin, H.M., Stevenson, S., Clark, T., & Guldi, D.M. (2022). Exploring the Threshold between Fullerenes and Nanotubes: Characterizing Isomerically Pure, Empty-Caged, and Tubular Fullerenes D5h-C90 and D5d-C100. Journal of the American Chemical Society, 144(24), 10825-10829. https://dx.doi.org/10.1021/jacs.2c02442

MLA:

Schüßlbauer, Christoph, et al. "Exploring the Threshold between Fullerenes and Nanotubes: Characterizing Isomerically Pure, Empty-Caged, and Tubular Fullerenes D5h-C90 and D5d-C100." Journal of the American Chemical Society 144.24 (2022): 10825-10829.

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