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Alessia Bacchi, Ivano Bilotti, Aldo Brillante, Domenico Crocco, Raffaele G. Della Valle, Alberto Girlando, Matteo Masino, Paolo Pelagatti and Elisabetta Venuti Raman investigation of polymorphism in 1,1,4,4-tetraphenyl-butadiene Journal of Raman Spectroscopy 44

Article first published online: 9 APR 2013 | DOI: 10.1002/jrs.4278

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Low wavenumber Raman spectroscopy coupled to lattice dynamics calculations allows for the characterization of crystal packing and phonons in molecular materials. The blue emitting molecule 1,1,4,4-tetraphenyl-butadiene exhibits four polymorphs, all promptly identified by the Raman investigation in the lattice phonon spectral region. The study of the high wavenumber Raman spectra shows that distinct molecular packings are linked to distinct molecular conformations. The relative thermodynamical stability of the various polymorphs can be inferred by the minimum energy calculations.

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