Raman spectroscopic investigations of pressure-induced phase transitions inn-hexan

Kavitha, G. ; Narayana, Chandrabhas (2007) Raman spectroscopic investigations of pressure-induced phase transitions inn-hexan The Journal of Physical Chemistry B, 111 (51). pp. 14130-14135. ISSN 1089-5647

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Official URL: https://pubs.acs.org/doi/abs/10.1021/jp075188o

Related URL: http://dx.doi.org/10.1021/jp075188o


We report high-pressure Raman studies on n-hexane up to 16 GPa. n-Hexane undergoes solid−solid transition around 9.1 GPa along with an already reported liquid−solid transition around 1.4 GPa. The intensity ratio of the Raman modes relating the all-trans conformation (1147 and 2872 cm-1) to that of the gauche conformation (1074 and 2923 cm-1) shows a sudden change across 9.1 GPa, suggesting an increase in the all-trans population conformers above 9.1 GPa. The disappearance of the torsional modes suggests a steric hindrance to the methyl end group, similar to the n-heptane case, suggesting that the high-pressure phase (above 9.1 GPa) is an orientationally disordered phase. In general, the transition pressure for the solid−solid transition is inversely proportional to the length of the carbon backbone in the medium chain length n-alkanes.

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