Crystallographic characterization and identification of a minor isomer of C84 fullerene

Abstract

We report the synthesis and single crystal X-ray analysis of C 84 ( 14)ÁAgTPP (Ag tetraphenylporphyrin) cocrystal-the first ordered crystal structure containing a pristine higher fullerene.

Fused Dibenzo[a,m]rubicene: A New Bowl-Shaped Subunit of C70 Containing Two Pentagons

“…Furthermore, 1 also can served as a fragment of other higher fullerenes, such as C 76 , C 78 and C 84 . [28,29] A number of unique structural and physical properties were disclosed for compound 1, such as a bowl-tobowl inversion at the room temperature.…”

C80Cl12: A Chlorine Derivative of the Chiral D2‐C80 Isomer—Empirical Rationale of Halogen‐Atom Addition Pattern

“…For comparison, in the isolated pyrene molecule the length of the corresponding bond is 1.422 , [12] while in C 84 (14) it varies from 1.464 to 1.484 . [11] Such elongation of these bonds is a direct consequence of the curvature introduced to the "inherently planar" pyrene fragments.…”

“…We have recently shown that in higher fullerenes the central CÀC bonds in the pyrene fragments are the longest ones, [11] although the geometry of these fragments is suitable for effective conjugation. For comparison, in the isolated pyrene molecule the length of the corresponding bond is 1.422 , [12] while in C 84 (14) it varies from 1.464 to 1.484 .…”

Higher fullerenes: Compositional analysis by EDXD and molecular dynamics

“…fullerenes of a single size. We probed models of all sizes that were, to our knowledge, resolved, hence with available structural coordinates: C60 [19], C70 [20], C74 [21], C76 [22], C80 [23], C82 [24], C84 [25], C90 [26], C96 [27]. Furthermore, a simulation with the hypothesized structure of fullerene C180 [28] was made, using the cartesian coordinates published in the webpage http://www.nanotube.msu.edu/fullerene/fullerene-isomers.html.…”