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. 2012 May 29;109(24):9271-9275. doi: 10.1073/pnas.1114733109

Fig. 2.

Fig. 2.

Dynamics and properties of the crystalline molecular gyrotop 1. (A) Temperature dependence of the solid-state 2H NMR spectra of 1-d4 (solid line: observed spectra; dotted line: spectra simulated with the designated exchange rate constants k and angular displacement Δ). (B) Temperature dependence of the solid-state 2H NMR spectra of 2-d2 [solid line: observed spectra; dotted line: simulated spectra]. (C) Arrhenius plots of the flipping rates of the molecular gyrotop 1. From the plots, the following parameters were estimated: activation energy, Ea = 10.3 kcal/mol, preexponential factor, A = 2.15 × 1015 s-1. (C) Temperature dependence of the 2H spin-lattice relaxation times (T1) in the molecular gyrotops 1 (●) and 2 (▪). The solid lines represent the predicted values based on the isotropic rotational diffusion model (Eq. 1) whose parameters are as follows: qcc = 140 kHz, Ea = 9.0 kcal/mol, ω0/2π = 76.7 MHz, and τ∞ = 4.65 × 10-16 s.