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N. R. Agarwal, A. Lucotti, D. Fazzi, M. Tommasini, C. Castiglioni, W.A. Chalifoux and R. R. Tykwinski Structure and chain polarization of long polyynes investigated with infrared and Raman spectroscopy Journal of Raman Spectroscopy 44

Version of Record online: 27 MAY 2013 | DOI: 10.1002/jrs.4300

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Using vibrational spectroscopy and density functional theory calculations, long symmetrically capped polyynes have been studied as a function of increasing chain length for phonon dispersions. Unsymmetrically capped polyynes have been also studied as a comparison. Raman and infrared data demonstrate polarization and structural effects for these series of long polyyne chains.

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