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Raman spectroscopy study of acetonitrile at low temperature
Shuo Zhang1, Hongsheng Jia1, Mingxing Song2
1Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Siping 136000, Jilin Province, People's Republic of China.
Abstract:
We report the low-temperature studies of liquid CH3CN by Raman spectral measurements at ambient pressure with decreasing the temperature from 20 to -196 °C. Detailed internal modes especially the lattice modes analysis revealed that the structural phase transitions of acetonitrile from liquid to solid phase β and solid phase β to solid phase α were occurring at -50 and -60 °C, respectively. Further, the Fermi resonance parameters between the fundamental ν2 and combination (ν3 + ν4) of CH3CN at different temperatures were calculated based on the Bertran's equations. It is found that the Fermi resonance parameters as a function of temperature become discontinued at -50 and -60 °C, which coincides with discontinuities observed in the Raman shifts of CH3CN at -50 and -60 °C. The results suggest that the Fermi resonance parameters could be used as an indicator to assess the structural phase transition for CH3CN under low temperature.
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