Experimental and Theoretical Studies of Photoluminescence from Bi82+ and Bi53+ stabilized by [AlCl4]- in Molecular Crystals

Physics – Condensed Matter – Materials Science

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Scientific paper

The photophysical properties of Bi82+ and Bi53+ polycations stabilized by [AlCl4]- have been studied experimentally and theoretically. The otained product was thoroughly characterized by powder X-ray diffraction and steady-state and time-resolved spectroscopy, making it clear that both Bi82+ and Bi53+ contribute to the observed near infrared emission. Furthermore, it was revealed that Bi82+ polycation mainly results in the emission peaking at ca. 1180 nm, while Bi53+ the longer-wavelength emission. The following quantum chemistry calculation on Bi82+ polycation helps us attribute some observed excitation bands to specific electronic transitions of bismuth polycations. It is believed that systematical investigation of structural and luminescent properties as well as detailed quantum chemistry calculation of molecular crystals containing such kinds of bismuth units allows us to obtain a clearer picture on bismuth-related photophysical behaviors, which not only serve to solve the confusions on the luminescence origin of bismuth in other material systems such as glasses and bulk crystals, but also is helpful to develop novel applicable broadband tunable laser mediums.

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