Abstract

In the present paper, the synthesis, X-ray structural characterization, optical properties and electronic structures of three novel organic–inorganic hybrid compounds of the general formula [CH3SC(NH2)2]xBiAx+3, (A = I, Br, Cl, and x = 1 or 2) are reported. All of them show intense narrow excitonic peaks at the absorption spectra and narrow photoluminescence bands. In the case of (x = 1 and A = I) its structure consists of edge sharing BiI6 octahedral forming zigzag chains and in the case of (x = 2 and A = Br, Cl) their structure consists of corner sharing BiX6 octahedral also forming zigzag chains. The amine group is located in the free cavities between the chains. Their structural, optical and vibronic properties were studied. Band structure calculations were made in order to compare the results with the experimental findings and gain an insight of the properties of these new compounds.

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