Potential Barrier for Hindered Rotation in Molecular Crystal
1965 年 20 巻 2 号 p. 275-280
詳細
1965 年 20 巻 2 号 p. 275-280
A method is described for determining the height of the potential barrier for hindered rotation in a molecular crystal, in which the intensity of infrared absorption band is measured for different angles of polarization as a function of temperature. The barrier height is obtained from an average value of temperatures at which the “intensity versus temperature” curves intersect. Further, an empirical relationship is given between the potential barriers and frequencies of hindered rotation in various compounds, which is well approximated by
V=0.64−0.016·10−2ν+0.31·10−4ν2±0.27,
where V denotes the former in Kcal/mole and ν the latter in cm−1.
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