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Issue 5, 2018
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A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes

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Abstract

This work presents a Raman based approach for the rapid identification of the molecular conformation in a series of new 2,3-thienoimide capped quaterthiophenes, whose crystal structures were determined by synchrotron radiation X-ray powder diffraction. These systems display two conformational polymorphs, known as forms A and B, as a result of the antiantianti and synantisyn arrangements of the quaterthiophene cores. In a micro-Raman and computational study, the spectroscopic differences between the conformers were detected and proved to be suitable markers for polymorph identification. Thus, the synergic employment of diffraction and Raman spectroscopy techniques yields a full and reliable characterization of 2,3-thienoimide capped quaterthiophene compounds in their solid state.

Graphical abstract: A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes

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Publication details

The article was received on 29 Sep 2017, accepted on 31 Dec 2017 and first published on 02 Jan 2018


Article type: Paper
DOI: 10.1039/C7CP06679A
Citation: Phys. Chem. Chem. Phys., 2018,20, 3630-3636
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    A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes

    C. Cappuccino, P. P. Mazzeo, T. Salzillo, E. Venuti, A. Giunchi, R. G. Della Valle, A. Brillante, C. Bettini, M. Melucci and L. Maini, Phys. Chem. Chem. Phys., 2018, 20, 3630
    DOI: 10.1039/C7CP06679A

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