Carbon-13 NMR study of the C60 cluster in the solid state: molecular motion and carbon chemical shift anisotropy

Yannoni, C. S.; Johnson, Robert D.; Meijer, Gerard; Bethune, Donald S.; Salem, J.

doi:10.1021/j100154a005

Cited by 475 publications

(176 citation statements)

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“…13 C NMR line shape and spin-lattice relaxation in fullerite C 60 have been studied in magnetic fields of 1.4 to 9.4 T at temperatures ranging from 100 to 340 K [3,4,5,6]. These experiments clearly demonstrate that the 13 C NMR spectrum of fullerite C 60 in the range 100-340 K is dominated by one type of magnetic interaction, namely, by 13 C magnetic shielding anisotropy, which determines both the line shape and T 1 .…”

Section: Introductionmentioning

confidence: 89%

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Spin-rotation interaction in fulleriteC60

2002

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We report on the 13 C spin-lattice relaxation times in polycristalline fullerite C60 measured over the temperature range 295 K to 1000 K. At temperatures above 470 K, spin-lattice relaxation is dominated by the spin-rotation interaction. From the analysis of temperature dependence of T1( 13 C), the spin-rotation constant is determined using J-and M-models of rotational diffusion: CJ ≃ −51 Hz, CM ≃ −29 Hz.

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Section: Introductionmentioning

confidence: 89%

“…Values of these parameters for fullerite C 60 were determined earlier [3,4,5,6]: σ = 1.43 × 10 −4 (from TMS), δ = −1.1 × 10 −4 , η = 0.24. Here, we use ω 0 = 2π × 75.4 MHz.…”

Section: Spin-lattice Relaxation Timementioning

confidence: 99%

Spin-rotation interaction in fulleriteC60

2002

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“…As demonstrated previously with naked C 60 , the solid-state NMR spectra provide the evidence for dynamic motion in the solid state. Due to the random orientations of the molecules fixed in the solid state against the external magnetic field, ordinary molecules affords a broad powder pattern of resonances under static NMR conditions without MAS (20), whereas C 60 affords a narrow single resonance even under the static NMR conditions by cancelling out the chemical shift anisotropy through the dynamic rolling motion in the solid state (21)(22)(23) Fig. S2), we observed a narrow single resonance of C 60 at 140 ppm along with the broad powder-pattern resonances of the encapsulating [4]CC host.…”

Section: Significancementioning

confidence: 99%

Solid-state structures of peapod bearings composed of finite single-wall carbon nanotube and fullerene molecules

Sato

Yamasaki

Isobe

2014

Proc. Natl. Acad. Sci. U.S.A.

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A supramolecular combination of carbon nanotube and fullerene, so-called a peapod, has attracted much interest, not solely because of its physical properties but also for its unique assembled structures of carbonaceous entities. However, the detailed structural information available was not sufficient for in-depth understanding of its structural chemistry or for exploratory research inspired by novel physical phenomena, mainly because of the severely inhomogeneous nature of currently available carbon nanotubes. We herein report solid-state structures of a molecular peapod. This structure, solved with a belt-persistent finite carbon nanotube molecule at the atomic level by synchrotron X-ray diffraction, revealed the presence of a smooth, inflection-free Hirshfeld surface inside the tube, and the smoothness permitted dynamic motion of the C 60 guest molecule even in the solid state. This precise structural information may inspire the molecular design of carbonaceous machines assembled purely through van der Waals contacts between two neutral molecules. molecular bearing | crystal structure | dynamic solid-state structure | host-guest complex A carbonaceous supramolecular system called a peapod, i.e., a host-guest composite of a single-wall carbon nanotube (SWNT) and fullerene, is attracting considerable interest in various fields due to its unique electronic and molecular structures (1). Although interesting physical phenomena of peapods are being discovered, especially in solid-state physics (2-5), little fundamental and in-depth understanding of peapods has been accumulated at the molecular or atomic levels until quite recently. The first reports of structural chemistry related to peapods appeared through the studies of [10]cycloparaphenylene ([10]CPP) (6): Yamago and coworkers (7) first reported a moderate level of association (association constant K a ∼ 10 3 M in o-dichlorobenzene) with C 60 in the solution phase, and solid-state crystal structures were reported with C 60 and C 70 by Jasti and coworkers (8) and Yamago and coworkers (9). Although this moderate level of association in [10]CPP raised a question regarding the stability of peapods in general (5, 10), we recently showed that the association of belt-persistent tubular molecules, [4]cyclo-2,8-chrysenylenes ([4]CC 2,8 ) (11-13), with C 60 was much higher and recorded a 10 6 -and 10 9 -fold higher association constant in the same medium (K a ∼ 10 9 M) and in benzene (K a ∼ 10 12 M), respectively (Fig. 1A) (14, 15). The level of association in this molecular peapod was comparable to the one expected from theoretical studies with infinite SWNT peapods (10) and, to the best of our knowledge, was highest among host-guest complexes in organic media to date. The uniqueness of molecular recognition in the curved π-systems was further accentuated by the fact that this tight association does not hamper dynamic rolling motions of the guest, providing an intriguing possibility as a molecular bearing (16). To deepen the understanding of tightest host-guest complex ...

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“…The single bonds that define the pentagonal faces are increased from the average bond length of 1.44 A to 1.46 A, while the double bonds are decreased to 1.40 A. 5 ' 32 ' 33 ' 52 ' 78 Since each carbon atom has its valence requirements fully satisfied, the C 60 molecules are expected to form a van der Waals bonded molecular solid which is an insulator (or a semiconductor). The semiconducting behavior is further stabilized by the above-mentioned distortions in the intramolecular bond lengths.…”

Section: A Structure Of C 60mentioning

confidence: 99%

Fullerenes

1993

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A review of the structure and properties of fullerenes is presented. Emphasis is given to their behavior as molecular solids. The structure and property modifications produced by alkali-metal doping are summarized, including modification to the electronic structure, lattice modes, transport, and optical properties. Particular emphasis is given to the alkali-metal-doped fullerenes because of their importance as superconductors. A review of the structure and properties of fullerene-based graphene tubules is also given, including a model for their one-dimensional electronic band structure. Potential applications for fullerene-based materials are suggested.

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Carbon-13 NMR study of the C60 cluster in the solid state: molecular motion and carbon chemical shift anisotropy

Cited by 475 publications

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Spin-rotation interaction in fulleriteC60

Spin-rotation interaction in fulleriteC60

Solid-state structures of peapod bearings composed of finite single-wall carbon nanotube and fullerene molecules

Fullerenes

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