Rotation–vibration spectra of icosahedral molecules. II. Icosahedral symmetry, vibrational eigenfrequencies, and normal modes of buckminsterfullerene

Weeks, David E.; Harter, William G.

doi:10.1063/1.456571

Cited by 216 publications

(72 citation statements)

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“…is the laser frequency, and is the ellipticity. We treat C z 60 as a classical spring-mass network in a similar manner as has been used to analyze the rotation-vibration spectrum of neutral C 60 [23]. We use their simplification that associates a single force constant, h, with the stretching of both the single and the double bonds and a single force constant, , that describe C-C-C and C-C=C bending.…”

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confidence: 99%

Internal Laser-Induced Dipole Force at Work inC60Molecule

2003

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Access and use of this website and the material on it are subject to the Terms and Conditions set forth at NRC Publications Record / Notice d'Archives des publications de CNRC:http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/ctrl?action=rtdoc&an=12328093&lang=en http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/ctrl?action=rtdoc&an=12328093&lang=fr READ THESE TERMS AND CONDITIONS CAREFULLY BEFORE USING THIS WEBSITE.http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/jsp/nparc_cp.jsp?lang=en Vous avez des questions? Nous pouvons vous aider. Pour communiquer directement avec un auteur, consultez la première page de la revue dans laquelle son article a été publié afin de trouver ses coordonnées. Si vous n'arrivez pas à les repérer, communiquez avec nous à PublicationsArchive-ArchivesPublications@nrc-cnrc.gc.ca. Questions? Contact the NRC Publications Archive team atPublicationsArchive-ArchivesPublications@nrc-cnrc.gc.ca. If you wish to email the authors directly, please see the first page of the publication for their contact information. NRC Publications Archive Archives des publications du CNRCThis publication could be one of several versions: author's original, accepted manuscript or the publisher's version. / La version de cette publication peut être l'une des suivantes : la version prépublication de l'auteur, la version acceptée du manuscrit ou la version de l'éditeur. For the publisher's version, please access the DOI link below./ Pour consulter la version de l'éditeur, utilisez le lien DOI ci-dessous.http://doi.org/10.1103/PhysRevLett. 91.203004 Physical Review Letters, 91, 20, pp. 203004-1-203004-4, 2003-11-13 Internal Laser-Induced Dipole Force at Work in C 60 Molecule V. R. Bhardwaj, P. B. Corkum, and D. M. RaynerSteacie Institute for Molecular Science, National Research Council, 100 Sussex Drive, Ottawa, Ontario, Canada K1A 0R6 (Received 9 June 2003; published 13 November 2003) We show how the many electron response of a complex molecule to an intense laser field can be incorporated with the single active electron picture. This enables us to introduce an ''over-the-barrier'' model for C z 60 ionization, valid for long wavelength light. Using infrared radiation, we confirm the model and also produce stable, highly charged C 60 reaching C 12 60 , the highest charge state ever observed. At high intensities and high charge states the internal laser-induced dipole force and rapid charging lead to stress on the molecule. The interplay between the forces provides control and suggest strategies for reaching even higher charge states.

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Internal Laser-Induced Dipole Force at Work inC60Molecule

2003

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“…Hence only T 1u modes can be first-order IR active in pure C 60 . For two-quantum absorption, the selection rules for either the secondorder dipole moment mechanism (16) or the first-order dipole moment plus cubic anharmonicity mechanism are the same: two modes f and f cannot be second-order active unless their direct product representation Γ f × Γ f includes the representation r. For pure C 60 , the resulting possible combination mode symmetry types are listed in Table 1. Table 1.…”

Section: Symmetry and Selection Rulesmentioning

confidence: 99%

“…It is found that the number of linearly independent times each irreducible representation appears is 2(A g ), 1(A u ), 4(T 1g ), 5(T 1u ), 4(T 3g ), 5(T 3u ), 6(G g ), 6(G u ), 8(H g ), and 7(H u ). The notation is that of Weeks and Harter [16], who provide a detailed account of the icosahedral group and its application to the harmonic vibrations of C 60 . The irreducible representations of types A, T, G, and H are of dimensionalities 1, 3, 4, and 5, respectively, these giving the degeneracies, while the g and u subscripts specify the representations for even and odd modes.…”

Section: Symmetry and Selection Rulesmentioning

confidence: 99%

“…The T1g contributions vanish in either the static limit ωL = 0 or whenever the electronic eigenfunctions are purely real. These forms were obtained via the projection operator technique described on page 9, using the irreducible representation matrices given by Weeks and Harter [16]. The z axis is a 5-fold axis, and the yz plane is a reflection plane scattering is I total = I + I ⊥ ∝ 10G 0 + 7G s + 5G a .…”

Section: Symmetry and Selection Rulesmentioning

confidence: 99%

“…Prior to 1990, normal mode calculations treating the C 60 molecule as a discrete system used force constants transferred from other molecules containing carbon-carbon bonds, such as benzene [16], or relied on semi-empirical quantum chemistry calculations (e.g. MNDO, AM1, or QCFF/PI [39,[43][44][45]).…”

Section: Modementioning

confidence: 99%

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Vibrational spectroscopy of C60

Menéndez¹,

Page²

Topics in Applied Physics

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The fullerene era was started in 1985 with the discovery of the stable C 60 cluster and its interpretation as a cage structure with the familiar shape of a soccer ball [1]. An explosive growth in fullerene research was triggered in 1990 by the development of a method to produce fullerenes in bulk quantities [2]. Subsequently, the structural, electronic, and vibrational properties of many fullerenes have been studied in detail. The importance and potential of this new class of materials is exemplified by the discovery of intermediatetemperature superconductivity in doped C 60 [3]. Carbon nanotubes, a novel form of carbon which combines the properties of graphite and fullerenes, were discovered in 1991 [4]. Because of their intriguing properties and potential for applications, nanotubes are currently the subject of very intense research. Polymerization of C 60 molecules, particularly by photoexcitation [5] but by several other techniques as well, also results in a variety of interesting new structures, which contain both 4-coordinated and 3-coordinated carbon atoms [6]. The burgeoning field of fullerene research has been reviewed by several authors [7][8][9][10][11][12], most notably by Dresselhaus et al. [11] in an extensive monograph that appeared in 1996.In spite of the rapidly increasing interest in new forms of fullerenes, icosahedral C 60 , the "most beautiful molecule" [13], remains the focus of vigorous research as the prototype fullerene system. The present chapter concerns the vibrational structure of C 60 and the efforts to unravel its details using spectroscopic techniques. This remains a work in progress, but we hope to show that a look at the existing body of experimental and theoretical research from the broader perspective of an extended article provides a deeper understanding of the vibrational properties of C 60 .

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Optical spectra of C ₆₀ and C ₇₀ complexes: their similarities and differences

Graja

Farges

1998

Adv Material for Optics Elec

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Some possible uses of vibrational and electronic spectroscopies in characterising the basic interactions in C60 and C70 complexes are pointed out. We report on the wealth of infrared spectra of (usually) single crystals of C60 and C70 clathrates and complexes with organic donors. The changes in the spectral parameters of the complexes in comparison with those of the neutral fullerene molecules are attributed to redistribution of the charge on the spherical C60 or elongated C70 molecules in their compounds. Some general considerations on the origin of the IR, NIR, VIS and UV spectral variations are also given. © 1998 John Wiley & Sons, Ltd.

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Rotation–vibration spectra of icosahedral molecules. II. Icosahedral symmetry, vibrational eigenfrequencies, and normal modes of buckminsterfullerene

Cited by 216 publications

References 21 publications

Internal Laser-Induced Dipole Force at Work inC60Molecule

Internal Laser-Induced Dipole Force at Work inC60Molecule

Vibrational spectroscopy of C60

Optical spectra of C ₆₀ and C ₇₀ complexes: their similarities and differences

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Rotation–vibration spectra of icosahedral molecules. II. Icosahedral symmetry, vibrational eigenfrequencies, and normal modes of buckminsterfullerene

Cited by 216 publications

References 21 publications

Internal Laser-Induced Dipole Force at Work inC60Molecule

Internal Laser-Induced Dipole Force at Work inC60Molecule

Vibrational spectroscopy of C60

Optical spectra of C 60 and C 70 complexes: their similarities and differences

Contact Info

Product

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Optical spectra of C ₆₀ and C ₇₀ complexes: their similarities and differences