Isolation of a Small Carbon Nanotube: The Surprising Appearance of D_5h(1)‐C₉₀

Abstract

Totally tubular: The previously undetected higher fullerene D5h(1)‐C90 (see structure) was isolated as the major C90 isomer produced from Sm2O3‐doped graphite rods and identified structurally by X‐ray crystallography.

Encapsulation of small magnetic clusters in fullerene cages: A density functional theory investigation within van der Waals corrections

“…We estimated the cage volume (V = 3 for C 60 , C 70 , C 80 , and C 90 , respectively, i.e., the cage volume increases from C 60 → C 70 → C 90 → C 80 , which is expected to play an important role for TM m encapsulation. The C-C bond lengths in C n are from 1.39 to 1.45Å, which is consistent with experimental results, 44,51 and substantially smaller than the TM-TM bond lengths, 11 which might affect the binding of the TM m clusters to the inside C n surfaces.…”

“…To obtain a better understanding of the cage shape in the TM m @C n properties, we selected two spherical fullerenes, C 60 number of hexagons close to the fullerene cages are 20, 25, 30, and 35, respectively. We would like to mention that C 60 -I h , C 70 -D 5h , and C 80 -I h fullerenes have been widely observed experimentally, 44,45 while C 90 -D 5h was only recently identified by single-crystal x-ray diffraction, 51 and has very interesting properties between fullerenes and CNTs.…”

An Open‐Cage Fullerene That Mimics the C60H10 (5,5)‐Carbon Nanotube Endcap to Host Acetylene and Hydrogen Cyanide Molecules

“…[1] The opened SWNTs reveal that the outmost carbon atoms must be saturatedb y attaching either functional groups or hydrogen atoms.P reviously,S cott et al synthesized as hort,m ono-capped C 50 H 10 nanotube from corannulene by stepwise chemical reactions, [2] which contains ac ured hemisphere akin to C 60 and has been postulated to serve as at emplate for (5,5)-SWNT growth. [3] Because fullerenes are considered as an extreme of closed SWNTs withoutc ylindrical centerpiece, [4] they might lead to ultrashort nanotubes by consecutivec leavage of s and p carbon-carbon bonds on the fullerenec ore. The resulting adducts, called open-cage fullerenes,w as firstr eported in 1995b yW udl and co-workers.…”

Molecular Basis for the Recognition of Higher Fullerenes into Ureidopyrimidinone–Cyclotriveratrylene Self‐Assembled Capsules

“…In the case of C 90 ,w ec hose the D 5h isomer in virtue of its highers ymmetry;w ea lso note that this is the mosta bundant C 90 isomer occurringi ns oot generated from Sm 2 O 3 -doped graphite rods. [26] To begin with, C 60 and C 70 are independently considered inside all of the seven accessible capsulec onformers (four homochiral and three meso,a se xplained earlier). However, for complexes with C 76 ,C 78 ,C 84 ,a nd C 90 ,t he investigation is subsequently limitedt ot he five 1 2 conformers shown in Ta ble 1t o yield the most favorable encapsulatione nergies with C 70 .D ata for four of these( fully discussed below; data for the fifth conformer (A b S a )a re only plottedi nF igure S7 in the SupportingI nformation for completeness.…”