The infrared and ultraviolet absorption spectra of laboratory-produced carbon dust: evidence for the presence of the C60 molecule

Krätschmer, Wolfgang; Fostiropoulos, K.; Huffman, Donald R.

doi:10.1016/0009-2614(90)87109-5

Cited by 901 publications

(289 citation statements)

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“…Infrared spectroscopy of the linear carbon clusters is facilitated by the fact that C=C antisymmetric stretching fundamentals are typically very intense, with band origins in the region 1500-2300 cm" 1 . The 12 C nucleus has spin J = 0.…”

Section: Energy Level Expressions Used For Determination Of Carbon-clmentioning

confidence: 99%

Synthesis of C₆₀ from Small Carbon Clusters

Heath

1992

ACS Symposium Series

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A model based on experiment and ab initio theory for the high-yield carbon--arc synthesis of C 60 and other fullerenes is presented. Evidence that is given indicates that the synthesis must start with the smallest units of carbon (atoms, dimers, etc.). The model is then broken into four steps: (1) the growth of carbon chains up to length C 10 from initial reactants present in the carbon vapor, (2) growth from chains into monocyclic rings (C 10 -C 20 ), (3) production and growth of three-dimensional reactive carbon networks (C 21 -C x , x = 30-40), and (4) growth of small fullerene cages via a closed--shell mechanism that exclusively produces C 60 , C 70 , and the higher fullerenes as the stable products.The carbon-arc synthesis of from solid graphite surely represents one of the most phenomenal phase transitions ever discovered. This synthetic technique, developed by Kratschmer, Fostiropoulos, and Huffman (7), has made bulk quantities of and other fullerenes available to the scientific community. This availability has stimulated a tremendous effort directed at characterizing this novel and exciting new class of molecules. One of the most fascinating aspects of the fullerenes, however, is the chemistry of their formation within the carbon arc. The synthesis is amazingly simple, and yet it produces results that are so fantastic and unexpected! The best experimental evidence (more on this later) indicates that the graphite reactant is vaporized in the carbon arc into the smallest units of carbon-atoms and possibly dimers-which then, through a concerted series of reactions, and in a limited range of pressures and temperatures, recombine to produce the spheroidal shells of carbon known as the fullerenes (2).How can this reaction scheme be understood? What are the individual chemical mechanisms that lead to the formation of the fullerenes? What reactive intermediates are produced in the carbon arc? How does the hightemperature chemical environment of the carbon arc produce the low-entropy

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Section: Energy Level Expressions Used For Determination Of Carbon-clmentioning

confidence: 99%

Synthesis of C₆₀ from Small Carbon Clusters

Heath

1992

ACS Symposium Series

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“…10 The vibrational spectrum of isolated C 60 shows four sharp IR peaks of T 1u origin, as expected for a cage with icosahedral symmetry. 13 Upon polymerization, the symmetry of the C 60 ball is reduced from I h to D 2h for the O and T polymers, whereas it is reduced to D 3d for the R polymer. As a result, the vibrational properties of these HTHP polymers are very different from those of the isolated fullerene ball.…”

Section: Introductionmentioning

confidence: 99%

Far-infrared vibrational properties of tetragonalC60polymer

et al. 2002

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We report high-resolution far-infrared transmittance measurements and quantum-molecular-dynamics calculations of the two-dimensional tetragonal ͑T͒ high-temperature/high-pressure C 60 polymer, as a complement to our previous work on the C 60 dimer, and the one-dimensional orthorhombic ͑O͒ and two-dimensional rhombohedral (R) C 60 polymers ͓V. C. Long et al., Phys. Rev. B 61, 13 191 ͑2000͔͒. The spectral features are assigned as intramolecular modes according to our quantum-molecular-dynamics calculations. In addition, we determine the I h C 60 parent symmetry of each polymer vibrational mode by expanding the calculated polymer eigenvectors in terms of our calculated eigenvectors for I h C 60 . We find that many of the T-polymer vibrational modes are derived from more than one I h C 60 parent symmetry, confirming that a weak perturbation model is inadequate for these covalently bonded C 60 balls. In particular, strongly infrared-active T-polymer modes with frequencies of 606 and 610 cm Ϫ1 are found to be derived from a linear combination of three or more I h C 60 parent modes. As in the O and R polymers, modes of the T polymer with substantial T 1u (2) character, which are polarized in the stretched directions, are found to have large downshifts. Finally, in our comparison of theory with experiment, we find indications that the in-plane lattice of the T polymer may not actually be square.

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“…1,2 When the weak van der Waals forces among fullerene balls are replaced by different configurations of covalent bonds, the vibrational properties change dramatically. [3][4][5] Both interball interactions and symmetry reductions produced by distortions of the bonded C 60 balls are effectively studied through their effects on the vibrational spectrum.…”

Section: Introductionmentioning

confidence: 99%

Far-infrared vibrational properties of high-pressure high-temperatureC60polymers and theC60
Long
¹
,
Musfeldt
²
,
Kamarás
³

et al. 2000
Phys. Rev. B
29
2
33
0
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We report high-resolution far-infrared transmission measurements of the 2ϩ2 cycloaddition C 60 dimer and two-dimensional rhombohedral and one-dimensional orthorhombic high-pressure high-temperature C 60 polymers. In the spectral region investigated (20-650 cm Ϫ1 ), we see no low-energy interball modes, but symmetry breaking of the linked C 60 balls is evident in the complex spectrum of intramolecular modes. Experimental features suggest large splittings or frequency shifts of some I h C 60 -derived modes that are activated by symmetry reduction, implying that the balls are strongly distorted in these structures. We have calculated the vibrations of all three systems by first-principles quantum molecular dynamics and use them to assign the predominant I h C 60 symmetries of observed modes. Our calculations show unprecedentedly large downshifts of T 1u ͑2͒-derived modes and extremely large splittings of other modes, both of which are consistent with the experimental spectra. For the rhombohedral and orthorhombic polymers, the T 1u ͑2͒-derived mode that is polarized along the bonding direction is calculated to downshift below any T 1u ͑1͒-derived modes. We also identify a previously unassigned feature near 610 cm Ϫ1 in all three systems as a widely split or shifted mode derived from various silent I h C 60 vibrations, confirming a strong perturbation model for these linked fullerene structures.

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The infrared and ultraviolet absorption spectra of laboratory-produced carbon dust: evidence for the presence of the C60 molecule

Cited by 901 publications

References 9 publications

Synthesis of C₆₀ from Small Carbon Clusters

Synthesis of C₆₀ from Small Carbon Clusters

Far-infrared vibrational properties of tetragonalC60polymer

Far-infrared vibrational properties of high-pressure high-temperatureC60polymers and theC60
Long
¹
,
Musfeldt
²
,
Kamarás
³

et al. 2000
Phys. Rev. B
29
2
33
0
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The infrared and ultraviolet absorption spectra of laboratory-produced carbon dust: evidence for the presence of the C60 molecule

Cited by 901 publications

References 9 publications

Synthesis of C60 from Small Carbon Clusters

Synthesis of C60 from Small Carbon Clusters

Far-infrared vibrational properties of tetragonalC60polymer

Far-infrared vibrational properties of high-pressure high-temperatureC60polymers and theC60Long1, Musfeldt2, Kamarás3 et al. 2000Phys. Rev. B292330View full textAdd to dashboardCite

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Synthesis of C₆₀ from Small Carbon Clusters

Synthesis of C₆₀ from Small Carbon Clusters

Far-infrared vibrational properties of high-pressure high-temperatureC60polymers and theC60
Long
¹
,
Musfeldt
²
,
Kamarás
³

et al. 2000
Phys. Rev. B
29
2
33
0
View full text Add to dashboard Cite