Synthetic and structural considerations on highly curved bowl-shaped fragments of fullerenes

Yao Ting Wu; Tsun Cheng Wu; Min Kuan Chen; Hsin Ju Hsin

doi:10.1515/pac-2013-1215

Synthetic and structural considerations on highly curved bowl-shaped fragments of fullerenes

Yao Ting Wu, Tsun Cheng Wu, Min Kuan Chen, Hsin Ju Hsin

Department of Chemistry

Research output: Contribution to journal › Article

13 Citations (Scopus)

Abstract

Numerous highly curved fragments of C₆₀ and unique subunits of C₇₀ were synthesized under mild conditions using metal-catalyzed protocols. According to X-ray crystallographic analyses, highly curved fragments of C₆₀ have a maximum π-orbital axis vector (POAV) pyramidalization angle of up to 12.9°, whereas distinctive fragments of C₇₀, analogous to the tube portion of the rugby-shaped buckyball, are less curved. Among the eight buckybowls studied herein, five form polar crystals. Depending on the molecular geometry, the inversion dynamics of buckybowls involves either a planar or an S-shaped (non-planar) transition structure.

Original language	English
Pages (from-to)	539-544
Number of pages	6
Journal	Pure and Applied Chemistry
Volume	86
Issue number	4
DOIs	https://doi.org/10.1515/pac-2013-1215
Publication status	Published - 2014 Apr 17

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All Science Journal Classification (ASJC) codes

Chemistry(all)
Chemical Engineering(all)

Cite this

Wu, Y. T., Wu, T. C., Chen, M. K., & Hsin, H. J. (2014). Synthetic and structural considerations on highly curved bowl-shaped fragments of fullerenes. Pure and Applied Chemistry, 86(4), 539-544. https://doi.org/10.1515/pac-2013-1215

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abstract = "Numerous highly curved fragments of C60 and unique subunits of C70 were synthesized under mild conditions using metal-catalyzed protocols. According to X-ray crystallographic analyses, highly curved fragments of C60 have a maximum π-orbital axis vector (POAV) pyramidalization angle of up to 12.9°, whereas distinctive fragments of C70, analogous to the tube portion of the rugby-shaped buckyball, are less curved. Among the eight buckybowls studied herein, five form polar crystals. Depending on the molecular geometry, the inversion dynamics of buckybowls involves either a planar or an S-shaped (non-planar) transition structure.",

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10.1515/pac-2013-1215