%0 Journal Article
%A Kavitha, G.
%A Narayana, Chandrabhas
%D 2007
%T Raman Spectroscopic Investigations of Pressure-Induced Phase Transitions in n-Hexane
%U https://acs.figshare.com/articles/journal_contribution/Raman_Spectroscopic_Investigations_of_Pressure_Induced_Phase_Transitions_in_i_n_i_Hexane/2966170
%R 10.1021/jp075188o.s001
%2 https://ndownloader.figshare.com/files/4665325
%K 9.1 GPa
%K Raman Spectroscopic Investigations
%K transition
%K methyl end group
%X 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.
%I ACS Publications