Abstract
The I2 adsorption in Ni(pz)[Ni(CN)4] clathrate was investigated by combining spectroscopic and computational tools, including electrical measurements, solid UV–vis, infrared, and Raman spectroscopy, and Monte Carlo simulations. We observed that while ionic I3– species are formed at low I2 concentration, iodine in its molecular form is present at higher concentration. The appearance of polyiodides was suggested to result from the interactions between the guest and the [Ni(CN)4]2– moieties of the host framework.
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