Pressure-induced phase transitions in MBANP crystal: A study by synchrotron radiation X-ray diffraction and Raman spectroscopy

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 272; p. 120944
• Main Authors: Ferreira Junior, M.N.G., Paraguassu, W., dos Santos, A.O., Remédios, C.M.R.
• Format: Journal Article
• Language: English
• Published: England Elsevier B.V 05.05.2022
• Subjects: High-pressure; MBANP, conformational phase transition; Molecular Conformation; Phase Transition; Raman spectra; Spectrum Analysis, Raman - methods; Synchrotrons; X-Ray Diffraction; X-ray diffraction; Raman spectra; MBANP, conformational phase transition; High-pressure
• ISSN: 1386-1425; 1873-3557
• DOI: 10.1016/j.saa.2022.120944

[Display omitted] •MBANP molecules present conformational phase transition at high-pressure.•High-resolution X-ray powder diffraction measurements in LNLS.•Behavior of the Raman spectra as a function of pressure for MBANP single crystal. Raman spectroscopy and synchrotron radiation X-ray diffraction have been used to study the effect of pressure on 2-(-α-methylbenzylamino)-5-dinitropyridine (MBANP). Several changes are observed with increasing pressure in the Raman spectra of this system, such as splitting of various bands and disappearance of bands. Discontinuous shifts in wavenumber vs pressure plot indicate that a conformational phase transition takes place around 0.5 GPa. The behavior of the Raman spectra indicates that MBANP molecules present conformational phase transition at high-pressure. X-ray diffraction, performed with synchrotron radiation, confirms the conformational changes observed by Raman experiments around 0.5 GPa. The pressure provokes a rotational movement of the benzene ring which can be associated with the conformational phase transition.