Isolation and identification of fullerene family: C76, C78, C82, C84, C90 and C96

Kikuchi, K.; Nakahara, N.; Wakabayashi, Tomonari; Honda, Masahiro; Matsumiya, Hiroyuki; Moriwaki, Toshimichi; Suzuki, Satoru; Shiromaru, H.; Saito, Kazuya; Yamauchi, Kotaro; Ikemoto, Isao; Achiba, Yohji

doi:10.1016/0009-2614(92)90005-8

Cited by 250 publications

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“…The absorption spectra of higher fullerenes (C 76 , C 78 , C 84 , etc.) have also been obtained [5,6]. For theoretical studies, we have applied a tight binding model [7] to C 60 , and have analyzed the nonlinear optical properties.…”

Section: Phason Lines and Linear Absorptionmentioning

confidence: 99%

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Nonlinear optical response from excitons in C60,C70, and higher fullerenes

Harigaya¹

1998

Journal of Luminescence

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The optical excitations in C 60 and higher fullerenes, including isomers of C 76 , C 78 , and C 84 , are theoretically investigated. We use a tight binding model with long-range Coulomb interactions, treated by the Hartree-Fock and configuration-interaction methods. We find that the optical excitations in the energy region smaller than about 4 eV have most of their amplitudes at the pentagons. The oscillator strengths of projected absorption almost accord with those of the total absorption. Next, off-resonant third order susceptibilities are investigated. We find that third order susceptibilities of higher fullerenes are a few times larger than those of C 60 . The magnitude of nonlinearity increases as the optical gap decreases in higher fullerenes. The nonlinearity is nearly proportional to the fourth power of the carbon number when the onsite Coulomb repulsion is 2t or 4t, t being the nearest neighbor hopping integral. This result, indicating important roles of Coulomb interactions, agrees with quantum chemical calculations of higher fullerenes. Phason Lines and Linear AbsorptionRecently, the fullerene family C N with hollow cage structures has been intensively investigated. A lot of optical experiments have been performed, and excitation properties due to π-electrons delocalized on molecular surfaces have been measured. For example, the optical absorption spectra of C 60 and C 70 [1,2] have been reported, and the large optical nonlinearity of C 60 [3,4] has been found. The absorption spectra of higher fullerenes (C 76 , C 78 , C 84 , etc.) have also been obtained [5,6]. For theoretical studies, we have applied a tight binding model [7] to C 60 , and have analyzed the nonlinear optical properties. Coulomb interaction effects on the absorption spectra and the optical nonlinearity have been also studied [8]. We have found that the linear absorption spectra of C 60 and C 70 are well explained by the Frenkel exciton picture [9] except for the charge transfer exciton feature around the excitation energy 2.8 eV of the C 60 solids [2]. Coulomb interaction effects reduce the magnitude of the optical nonlinearity from that of the free electron calculation [8], and thus the intermolecular interaction effects have turned out to be important.In the previous paper [10], we have extended the calculation of C 60 [9] to one of the higher fullerenes C 76 . We have discussed variations of the optical spectral shape in relation to the symmetry reduction from C 60 and C 70 to C 76 : the optical gap decreases and the spectra exhibit a larger number of small structures in the dependences on the excitation energy. These properties seem to be natural when we take into account of the complex surface patterns composed of pentagons and hexagons. In order to understand the patterns clearly, the idea of the phason lines (Fig. 1) has been introduced [11] using the projection method on the honeycomb lattice plane [12]. There are twelve pentagons in C 76 . Six of them cluster on the honeycomb lattice, with one hexagon between the nei...

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Section: Phason Lines and Linear Absorptionmentioning

confidence: 99%

“…The projected absorption is calculated by eqs. (5) and (6). The projected part does not satisfy a sum rule.…”

Section: Phason Lines and Linear Absorptionmentioning

confidence: 99%

Nonlinear optical response from excitons in C60,C70, and higher fullerenes

Harigaya¹

1998

Journal of Luminescence

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“…Then, in 1990 the macroscopic generation by arcdischarge technique [Krätschmer et al (1990), Haufler et al (1991)] was introduced. Furthermore, higher fullerene [Kikuchi et al (1992)], metal-containing fullerene , Kikuchi et al (1993), Takata et al (1995] and nanotube [Iijima (1991), Thess et al (1996)] were also generated by the similar technique. Even though the generation of fullerene is now possible by the arc-discharge technique or laser-oven technique ), Wakabayashi et al (1997], the formation mechanism of such spherical molecules is not clarified yet.…”

Section: Introductionmentioning

confidence: 99%

FT-ICR Studies of Laser Desorbed Carbon Clusters.

Maruyama

Yoshida²,

Kohno³

1999

Trans.JSME, Ser.B

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Atomic and molecular clusters are being recognized as playing an important role in the thin-film deposition process and phase-change phenomena. Furthermore, small clusters are the most adequate system for the verification of quantum molecular dynamics calculations such as the interference of light and matter. Hence, experimental treatments of such atomic and molecular clusters are now desired. In order to examine such clusters, we have implemented a Fourier transform ion cyclotron resonance (FT-ICR) spectrometer directly connected to a laser-vaporization supersonicexpansion cluster beam source.The heart of the FT-ICR spectrometer was made of ICR cell cylinder centered in a strong homogeneous magnetic field of a 6 Tesla superconducting magnet. The atomic cluster beam was generated outside of magnetic field by the laser vaporization of a solid sample disk, followed by cooling with supersonic expansion of pulsed helium gas. The ionized cluster was carried by helium gas and directly injected to the magnetic field. By measuring the ion-cyclotron frequency, which was inversely proportional to the ion mass, a very highresolution mass spectrum can be obtained.The high mass-resolution was demonstrated for positive mass spectra of silicon, carbon, and metal-carbon binary clusters and negative mass spectra of metal-carbon binary clusters. For bare carbon positive clusters, we found the special condition where the odd-numbered clusters were observed in the range of C 30 to C 50 and the continuous change to C 60 -dominant condition and 'normal' even-numbered distribution.An example of mass spectrum measured by the directinjection FT-ICR apparatus is shown in Figure A Copyright © 1999 by ASME 2Magnetic field f :Ion cyclotron resonance frequency m :Mass of cluster ion q :Charge of cluster ion r :Radius of cyclotron motion v : Velocity INTRODUCTIONAtomic and molecular clusters are being recognized as playing an important role in the thin-film deposition process and phase-change phenomena. Furthermore, small clusters are the most adequate system for the verification of quantum molecular dynamics calculations such as the interference of light and matter, since a cluster is the unique small atomic system with a physically clear boundary condition. Hence, experimental treatments of such atomic and molecular clusters are now desired.Studies of clusters have another possibility leading to the discovery of new materials such as fullerene. Fullerene was first discovered in the mass-spectroscopic study by Kroto et al. (1985). Then, in 1990 the macroscopic generation by arcdischarge technique [Krätschmer et al. (1990), Haufler et al. (1991)] was introduced. Furthermore, higher fullerene [Kikuchi et al. (1992)], metal-containing fullerene , Kikuchi et al. (1993), Takata et al. (1995] and nanotube [Iijima (1991), Thess et al. (1996)] were also generated by the similar technique. Even though the generation of fullerene is now possible by the arc-discharge technique or laser-oven technique ), Wakabayashi et al. (1997], the formation ...

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“…Thus, any fullerene polyhedron with n = N c vertices has r 5 = 12 pentagonal rings, r 6 = (n -20)/2 hexagonal rings, and q = 3 n/2 edges. Several large carbon polyhedral clusters (C 60 , C 70 , C 76 , C 78 , C 82 , C 84 , C 90 , C 94 , and C 96 ) have now been isolated and, at least partially, characterized [1], Many more fullerenes beyond C 96 are observed in the mass spectra of soot extract [2]. These fullerenes constitute a new class of polycyclic conjugated compounds, and the enumeration of all their possible structures is an important endeavor [3,4] which has facilitated the deduction of the probable structures of several experimentally observed fullerene species.…”

Section: Introductionmentioning

confidence: 99%