The two known propantheline bromide polymorphs (form I and form II) were studied and characterized by a multianalytical approach. In the present work, the identification of propantheline bromide polymorphic forms through vibrational IR spectroscopies are presented and for the first time Raman microscopy and hot stage Raman microscopy (HSRM) studies are reported. Finally, quantum mechanical calculations were performed. For assisting the assignment of the experimental picks, the two IR spectra of the most and least stable representatives of a set of 56 conformers are calculated and studied. DSC thermograms data, are also reported. The surface enhanced Raman scattering (SERS) spectrum was also recorded in a silver colloid; it could be inferred that propantheline bromide is adsorbed on silver colloid through the oxygen atom with the molecular plane perpendicular to the metal surface.

IR, Raman and SERS spectra of propantheline bromide / Baraldi, Cecilia; Freguglia, Giada; A., Tinti; M., Sparta; A. N., Alexandrova; Gamberini, Maria Cristina. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - STAMPA. - 103:(2013), pp. 1-10. [10.1016/j.saa.2012.10.070]

IR, Raman and SERS spectra of propantheline bromide

BARALDI, Cecilia;FREGUGLIA, GIADA;GAMBERINI, Maria Cristina
2013

Abstract

The two known propantheline bromide polymorphs (form I and form II) were studied and characterized by a multianalytical approach. In the present work, the identification of propantheline bromide polymorphic forms through vibrational IR spectroscopies are presented and for the first time Raman microscopy and hot stage Raman microscopy (HSRM) studies are reported. Finally, quantum mechanical calculations were performed. For assisting the assignment of the experimental picks, the two IR spectra of the most and least stable representatives of a set of 56 conformers are calculated and studied. DSC thermograms data, are also reported. The surface enhanced Raman scattering (SERS) spectrum was also recorded in a silver colloid; it could be inferred that propantheline bromide is adsorbed on silver colloid through the oxygen atom with the molecular plane perpendicular to the metal surface.
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IR, Raman and SERS spectra of propantheline bromide / Baraldi, Cecilia; Freguglia, Giada; A., Tinti; M., Sparta; A. N., Alexandrova; Gamberini, Maria Cristina. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - STAMPA. - 103:(2013), pp. 1-10. [10.1016/j.saa.2012.10.070]
Baraldi, Cecilia; Freguglia, Giada; A., Tinti; M., Sparta; A. N., Alexandrova; Gamberini, Maria Cristina
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/966496
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