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COMBINATION BONDS OF SMALL CARBON CLUSTERS: AN ISOTOPIC INFRARED STUDY

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/19458

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Title: COMBINATION BONDS OF SMALL CARBON CLUSTERS: AN ISOTOPIC INFRARED STUDY
Creators: Fuller, Jason F.; Szczepanski, J.; Vala, Martin
Issue Date: 1999
Abstract: The $^{12,13}C$ isotopic substitution method applied to IR absorption spectra has been successful in identifying the size and the geometry of many molecular systems, including carbon $clusters.^{a}$ Using this method we obtained ${^{13}}C$-labeled IR spectra in the $v > 2200 cm^{-1}$ region for linear carbon clusters isolated in an Ar matrix. By comparison to the calculated isotopomer frequencies at the $B3LYP/6-31G^{\ast}$ level, the observed bands have been assigned to combination modes of ${^{12,13}}C_{n}$ clusters. In addition, from these combination band frequencies the few symmetrical mode vibrations in the linear $C_{n} (n< 10)$ clusters have been deduced.
URI: http://hdl.handle.net/1811/19458
Other Identifiers: 1999-TD-05
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