Hydrothermal synthesis, crystal and electronic structure of a new hydrated borate CsKB4O5(OH)4•2H2O

被引：2
作者：
Sambasivam, Sangaraju [1 ]
Maram, Pardha Saradhi [2 ]
Gopi, Chandu V. V. Muralee [3 ]
Obaidat, Ihab M. [1 ]
机构：
[1] United Arab Emirates Univ, Dept Phys, Al Ain 15551, U Arab Emirates
[2] SRM Univ AP, Dept Chem, Amaravati 522502, Andhra Pradesh, India
[3] Pusan Natl Univ, Sch Elect & Comp Engn, Busan 46241, South Korea
来源：
MATERIALS EXPRESS | 2020年 / 10卷 / 04期
关键词：
Metal Borate; Single Crystal; Hydrothermal; Electronic Structure; NONLINEAR-OPTICAL CRYSTAL; 2ND-HARMONIC GENERATION; PHOTOLUMINESCENCE; CHEMISTRY; PHOSPHOR; RUBIDIUM;
D O I：
10.1166/mex.2020.1669
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
Hydrothermal method successfully produced a new cesium-metal borate (CsKB4O5(OH)(4)center dot 2H(2)O). The crystals are grown in the P2(1)/c space group with a monoclinic lattice, a = 10.7298 (13) angstrom, b = 8.1521 (11) angstrom, c = 13.2690 (15) angstrom, beta =108.325 (9)degrees, and Z = 4. The structure is composed of [B4O5(OH)(4)](2-) groups connected to 8-coordinated potassium, 12-coordinated cesium ions, and water molecules forming the final 3D framework. FTIR and Raman spectra identified the type and nature of the borate groups within the structure. UV-Vis-NIR diffuse reflection spectra have studied the transmission property, whereas TG-DSC analyses revealed the thermal stability of the crystals. In addition, theoretical calculations have been executed to understand the density of states and band structure.
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收藏
页码：543 / 550
页数：8
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