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. 2003 May 28;100(12):7069–7074. doi: 10.1073/pnas.1231856100

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Fig. 5. — (A) Temperature dependence of the relative peak shifts, Δν(T), of the IR stretch bands of ¹²C¹⁶O (diamonds), ¹³C¹⁶O (triangles), and ¹³C¹⁸O (circles) in the Xe 4 cavity; fits of the classical 1D (dashed line) and 2D (solid lines) models to the data between 25 and 70 K are shown. (Inset) Quantum-mechanical calculation between 0 and 40 K. (B) Average angle, , computed from the classical (solid line) and quantum-mechanical (dashed line) 2D model using the global parameters shown in Table 1. Also shown are polar plots of the angular distributions, P(θ), at 25 and 70 K.

Inline graphic — (A) Temperature dependence of the relative peak shifts, Δν(T), of the IR stretch bands of ¹²C¹⁶O (diamonds), ¹³C¹⁶O (triangles), and ¹³C¹⁸O (circles) in the Xe 4 cavity; fits of the classical 1D (dashed line) and 2D (solid lines) models to the data between 25 and 70 K are shown. (Inset) Quantum-mechanical calculation between 0 and 40 K. (B) Average angle, , computed from the classical (solid line) and quantum-mechanical (dashed line) 2D model using the global parameters shown in Table 1. Also shown are polar plots of the angular distributions, P(θ), at 25 and 70 K.