Low-temperature Raman spectra of the 2-(α-methylbenzylamino)-5-nitropyridine crystal

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 183; pp. 209 - 217
• Main Authors: Pinheiro, G.S., Ferreira Júnior, M.N.G., dos Santos, A.O., Freire, P.T.C., Lima Jr, J.A., Nogueira, C.E.S., Cardoso, L.P., Sherwood, J.N., Remédios, C.M.R.
• Format: Journal Article
• Language: English
• Published: England Elsevier B.V 05.08.2017
• Subjects: Low temperatures; Phase transition; Raman spectroscopy; Raman spectroscopy; Low temperatures; Phase transition
• ISSN: 1386-1425; 1873-3557
• DOI: 10.1016/j.saa.2017.04.055

The polar organic 2-(α-methylbenzylamino)-5-nitropyridine crystal (MBANP) has been studied by Raman spectroscopy at low temperatures (from 300 to 10K). The effect of temperature change on the vibrational spectrum is discussed with the aid of DFT calculations. The behavior of the Raman spectra indicates that MBANP molecules present a different conformation at low temperatures associated with the rotation of the phenyl and pyridine rings. Temperature-dependent X-ray measurements and differential scanning calorimetry (DSC) analysis were utilized as complementary techniques to investigate the structural stability of MBANP crystal. [Display omitted] •Temperature dependent Raman spectra of the 2-(α-methylbenzylamino)-5-nitropyridine crystal;•The crystal of 2-(α-methylbenzylamino)-5-nitropyridine presents a small and smooth change in the molecular conformation;•The effect of temperature change on the vibrational spectrum is discussed with the aid of DFT calculations.