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Colossal C 130 Fullertubes: Soluble [5,5] C 130 -D 5h (1) Pristine Molecules with 70 Nanotube Carbons and Two 30-Atom Hemifullerene End-caps.

Emmanuel BourretXiaoyang LiuCora A NobleKevin CoverTanisha P DavidsonRong HuangRyan M KoenigK Shawn ReevesIvan V VlassioukMichel CôtéJefferey S BaxterAndrew R LupiniDavid B GeoheganHarry C DornSteven Stevenson
Published in: Journal of the American Chemical Society (2023)
We report the seminal experimental isolation and DFT characterization of pristine [5,5] C 130 -D 5h (1) fullertubes. This achievement represents the largest soluble carbon molecule obtained in its pristine form. The [5,5] C 130 species is the highest aspect ratio fullertube purified to date and now surpasses the recent gigantic [5,5] C 120 -D 5d (1). In contrast to C 90 , C 100 , and C 120 fullertubes, the longer C 130 -D 5h has more nanotubular carbons (70) than end-cap fullerenyl atoms (60). Starting from 39,393 possible C 130 isolated pentagon rule (IPR) structures and after analyzing polarizability, retention time, and UV-vis spectra, these three layers of data remarkably predict a single candidate isomer and fullertube, [5,5] C 130 -D 5h (1). This structural assignment is augmented by atomic resolution STEM data showing distinctive and tubular "pill-like" structures with diameters and aspect ratios consistent with [5,5] C 130 -D 5h (1) fullertubes. The high selectivity of the aminopropanol reaction with spheroidal fullerenes permits facile separation and removal of fullertubes from soot extracts. Experimental analyses (HPLC retention time, UV-vis, and STEM) were synergistically used (with polarizability and DFT property calculations) to down select and confirm the C 130 fullertube structure. Achieving the isolation of a new [5,5] C 130 -D 5h fullertube opens the door to application development and fundamental studies of electron confinement, fluorescence, and metallic character for a fullertube series of molecules with systematic tubular elongation. This [5,5] fullertube family also invites comparative studies with single-walled carbon nanotubes (SWCNTs), nanohorns (SWCNHs), and fullerenes.
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