Figure 1: Optical absorption spectra and structural models of the basic diamondoids.
From: Quantum nuclear dynamics in the photophysics of diamondoids
(a) Absorption spectra of adamantane, diamantane and triamantane (left to right), calculated with the nuclei clamped to their equilibrium positions (blue areas) compared with the experimental spectra reported in Landt et al.24 (black lines). The structural model of each diamondoid is also shown. (b) Absorption spectra calculated with nuclear dynamics included using equation (1) (blue areas) again compared with the experimental data of Landt et al.24 (black lines; the fuzzy models are a pictorial representation of the quantum nature of the nuclei). (c) Ball-and-stick models and isodensity surfaces of the HOMOs of adamantane, diamantane and triamantane. (d) Isodensity surface of the LUMO of adamantane.
