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Application of the Correlation Method to Vibrational Spectra of C60 and Other Fullerenes: Predicting the Number of IR- and Raman-Active Bands
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Abstract
The C60 molecule (Buckyball/soccer ball) exhibits only 4 IR and 10 Raman bands although it possesses 174 (3 x 60 - 6) normal vibrations. This striking reduction in the number of observed bands is evidently due to the molecule's extremely high symmetry (Ih point group). First, the 120 symmetry elements of its truncated icosahedral structure are identified and the local (site) symmetry of the carbon atoms (Cc) is determined. Use of molecular models greatly facilitates the process in determining the local and molecular symmetries. Then the correlation method is used to derive a table that classifies the 174 normal vibrations into the respective symmetry species of the Ih point group. In this method, symmetry properties of atomic displacements in terms of the local point group (Cc) are correlated with those in terms of the molecular point group (Ih). After the normal vibrations are classified into respective symmetry species, the numbers of IR- and Raman-active vibrations can be determined by the symmetry selection rules for IR and Raman spectra. The vibrational spectra of C60 and C70 (rugby ball) are analyzed by the above procedure, and the results obtained for C28, C32, C50, and dodecahedrane are provided.
Keywords (Audience):
Second-Year UndergraduateKeywords (Domain):
Analytical ChemistryKeywords (Subject):
Chirality / Optical ActivityCiting Articles
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This article has been cited by 6 ACS Journal articles (5 most recent appear below).
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Quantitative Determination of the Rotameric Energy Differences of 1,2-Dihaloethanes Using Raman Spectroscopy. An Experimental Project for the Physical Chemistry Laboratory
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Frank RiouxJournal of Chemical Education2003 80 (12), 1380Supplements a symmetry analysis of the vibrational modes of C60 and other fullerenes with another approach, in widespread use, which records the number of atoms that are unmoved by each symmetry operation, yielding the reducible representation Γuma.
Surface-Enhanced Raman Scattering of C60 and C70 in Gold Hydrosols
X.-C. Yang and Y. FangThe Journal of Physical Chemistry B2003 107 (37), 10100-10103Surface-Enhanced Raman Scattering of C60 and C70 in Gold Hydrosols
X.-C. Yang and Y. FangThe Journal of Physical Chemistry B2003 107 (37), 10100-10103Employing pyridine molecules as media, hydrophobic C60 and C70 molecules were transported into gold hydrosols and adsorbed on the surface of gold nanoparticles, thus resulting in high-quality surface-enhanced raman scattering (SERS) spectra with ...
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- Received: August 03, 2009
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