摘要
Two new members of zincoborate fluoride series Ba_(n+2)Zn_(n)(BO_(3))_(n)(B_(2)O_(5))F_(n)(n=1,2),namely,Ba_(3)Zn(BO_(3))(B_(2)O_(5))F and Ba_(4)Zn_(2)(BO_(3))2(B_(2)O_(5))F_(2)were firstly synthesized as high-quality single crystals via a hightemperature solution method by adjusting the molar ratios of reactants.They were structurally determined by single-crystal X-ray diffraction and their structures can be regarded as three dimensional(3D)framework stacking of^(2)_(∞)[Zn_(2)B_(6)O_(16)]^(10−)layers for Ba_(3)Zn(BO_(3))(B_(2)O_(5))F and^(2)_(∞)[Zn_(2)B_(4)O_(8)O_(5)/2O1/3]^(17/3−)layers for Ba_(4)Zn_(2)(BO_(3))_(2)(B_(2)O_(5))F_(2).To the best of our knowledge,the two title compounds are the first examples of two kinds of isolated B-O groups that coexist in one zincoborate halide.The structure comparisons were carried out among all the available anhydrous-zincoborates,and it is interesting to conclude that about 80%of zincoborates contain isolated B-O clusters and notably the molar ratio of cation/boron(A/B)affects the polymerization of isolated B-O configuration.What’s more,the first-principles calculations,infrared spectra,and UV-vis-NIR diffuse reflectance spectra of title compounds have also been performed.
基金
gratefully acknowledge financial support for this work from the National Natural Science Foundation of China(Grant No.51425206,21501194)
Xinjiang Key Laboratory Foundation(Grant No.2014KL009)
the National Key Research Projects(Grant No.2016YFB1102300,SQ2016YFGX070132)
the Key Laboratory Foundation for Functional Materials and Devices for Special Environments of CAS(Grant No.2013DP173196-2013-01)
the Xinjiang Program of Cultivation of Young Innovative Technical Talents(Grant No.2014731026).
