Aluminoborates with open frameworks: syntheses, structures, and properties.
Five aluminoborates Al[B(5)O(10)] x H(2)dab x 2 H(2)O (1), [Al(B(4)O(9))(BO)] x H(2)en (2), [Al(B(4)O(9))(BO)] x H(2)dap (3), K(2)Al[B(5)O(10)] x 4 H(2)O (4), and (NH(4))(2)Al[B(5)O(10)] x 4 H(2)O (5) have been synthesized under hydrothermal conditions and characterized by means of elemental analysis, IR, TG analysis, MAS NMR, UV-vis and fluorescence spectroscopy, powder X-ray diffraction, single-crystal X-ray diffraction, and NLO determination. The structure 1 comprises of AlO(4) tetrahedra and B(5)O(10) clusters and contains 12-, 11-, and 8-MR 3D-intersecting channels with a CrB(4) topological net. Structures 2 and 3 are both constructed from the same AlB(5)O(13) clusters and exhibit a six-connected framework with 4(12)6(3) topology. Structures 4 and 5 are isomorphous and are composed of AlO(4) tetrahedra and B(5)O(10) clusters that possess odd 11-MR channels and 8-MR helical channels. Structures 2-5 crystallized in an acentric structure and presented good SHG properties. UV-vis spectral investigation indicates that they are wide-band-gap semiconductors. The electronic structure calculations for the compounds also have been performed.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
Cheng
C
Rong
Zhiwu
Z
Yu
Qiang
Q
Wang
Shou-Tian
ST
Zheng
Chun-Yang
CY
Pan
Feng
F
Deng
Guo-Yu
GY
Yang
D017607:Aluminum Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D001881:Borates / Q000138:chemical synthesis* / Q000737:chemistry*; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D008958:Models, Molecular; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D013696:Temperature
D017607:Aluminum Compounds; D001881:Borates