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Gas-Phase Infrared Band Contour Simulations for C70

机译:Gas-Phase Infrared Band Contour Simulations for C70

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摘要

Theoretical ro-vibrational band-contour simulations are reported for the fullerene C7oin the gas-phase. For a prolate symmetric top there are A-type and B-type bands possible, these are simulated in the temperature range 10 -100 K. The results are expected to be useful for cold (molecular-beam) optical spectroscopy of C70as well as in astronomical searches for this fullerene and its ionized forms.

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