Crystal Structures of Saturn‐Like C₅₀Cl₁₀ and Pineapple‐Shaped C₆₄Cl₄: Geometric Implications of Double‐ and Triple‐Pentagon‐Fused Chlorofullerenes

Abstract

Planeten und Früchte: Die Strukturen der beiden Chlorfullerene C50Cl10 und C64Cl4 (siehe Bild), die die Regel isolierter Fünfringe (IPR) verletzen, wurden durch Röntgenbeugung bestimmt. Sie sind stabil, weil an den aktiven fünfringanellierenden Kohlenstoffatomen sterische Spannung abgebaut wird und zugleich die Aromatizität des Kohlenstoffgerüsts erhalten bleibt.

Combustion Synthesis and Electrochemical Properties of the Small Hydrofullerene C50H10

“…These NMR signals are analogous to those of C 50 Cl 10 ( Figure 3 c), the geometric structure of which has recently been confirmed by single-crystal X-ray diffraction. [21] For C 50 Cl 10 , the 13 C NMR spectrum also contains four distinct signals located at 161.5 (C I ), 146.6 (C II ), 143.0 (C III ), and 88.7 (C IV ) ppm. [3] The first three NMR signals (at the C IÀIII sites) are comparable in chemical shift, but the last one (C IV ) is shifted upfield by % 33.7 ppm for C 50 H 10 .…”

Probing the Chemical Functionalization of Single‐Walled Carbon Nanotubes with Multiple Carbon Ad‐Dimer Defects

“…In situ chlorination by introducing CCl 4 or Cl 2 as an additional reagent in conventional fullerene synthesis has been shown to be an effective method for stabilizing non-IPR fullerenes. [31][32][33][34][35] However, there is little insight available into the defect-containing SWCNTs. What are the differences between the addition of H, F, and Cl atoms to the sidewalls of perfect and defective SWCNTs?…”

Structural stability and electronic property of C68X4 (X=H, F, and Cl) fullerene compounds

“…Paralleling the intensive achievements on synthesis and characterizations of non-IPR metallofullerenes, some hydrides and halides have also been isolated gradually. The chlorine derivatives of C 50 -C 64 have been synthesized by Xie et al [16,17] in the modified graphite arc-discharge process, and the exact structures of C 50 Cl 10 [17][18][19], C 56 Cl 10 [20,21], and C 64 Cl 4 [17,22] have been determined unambiguously with a wide range of experimental methods and density functional theory (DFT) calculations. In 2005, Troshin et al [23] have nicely synthesized milligram quantities of two stable heptagon-containing derivatives C 58 F 18 and C 58 F 17 CF 3 through fluorinating C 60 at 550 • C. More recently, a new hydride C 64 H 4 [24], with four hydrogen atoms attaching to the vertexes of a triplet of directly fused pentagons, has been successfully prepared by incorporating methane in the fullerene productions.…”