Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)

Autor: Pei-Qing Hu, Chang-Yu Meng, Lei Geng, Ming-Fang Wei, Wen-Dan Cheng, Meng-Xia Yu
Rok vydání: 2016
Předmět:
Zdroj: Journal of Solid State Chemistry. 239:46-52
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2016.04.013
Popis: Two new bismuth(III) selenite/tellurite nitrates, [(Bi 3 O 2 )(SeO 3 ) 2 ](NO 3 ) and [Bi(TeO 3 )](NO 3 ), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV–vis–NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi 3 O 2 )(SeO 3 ) 2 ](NO 3 ) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P2 1 /c with a =9.9403(4) A, b =9.6857(4) A, c =10.6864(5) A, β= 93.1150(10)° for [(Bi 3 O 2 )(SeO 3 ) 2 ](NO 3 ) and a =8.1489(3) A, b =9.0663(4) A, c =7.4729(3) A, β= 114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetric building units, exhibit two different types of structures. The structure of [(Bi 3 O 2 )(SeO 3 ) 2 ](NO 3 ) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi 3 O 2 )(SeO 3 ) 2 ] 3 ∞ with NO 3 − anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO 3 )](NO 3 ) features 2D bismuth(III) tellurite [Bi(TeO 3 ) 2 ] 2 ∞ layers separated by NO 3 − anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors.
Databáze: OpenAIRE