Syntheses, characterization, and optical properties of centrosymmetric ba-3(bs3)(1.5)(ms3)(0.5) and noncentrosymmetric ba-3(bq(3))(sbq(3))
文献类型：期刊论文
| 作者 | Li, Yan-Yan1,2; Li, Bing-Xuan1; Zhang, Ge1; Zhou, Liu-Jiang1; Lin, Hua1; Shen, Jin-Ni1,2; Zhang, Cheng-Yi1; Chen, Ling1; Wu, Li-Ming1 |
| 刊名 | Inorganic chemistry
 |
| 出版日期 | 2015-05-18 |
| 卷号 | 54期号:10页码:4761-4767 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/acs.inorgchem.5b00189 |
| 通讯作者 | Chen, ling(chenl@fjirsm.ac.cn) |
| 英文摘要 | The most advanced uv-vis and ir nlo materials are usually borates and chalcogenides, respectively. but thioborates, especially thio-borometalates, are extremely rare. here, four new such compounds are discovered by solid state reactions representing 0d structures constructed by isolated bq(3) trigonal planes and discrete mq(3) pyramids with ba2+ cations filling among them, centrosymmetric monoclinic p2(1)/c ba-3(bs3)(1.5)(ms3)(0.5) (m = sb, bi) 1, 2 with a = 12.9255(9), 12.946(2) angstrom; b = 21.139(2), 21.170(2)angstrom; c = 8.4194(6), 8.4207(8) angstrom; beta = 101.739(5), 101.688(7)degrees; v = 2252.3(3), 2259.9(3) angstrom(3) and noncentrosymmetric hexagonal p (6) over bar 2m ba-3(bq(3))(sbq(3)) (q = s, se) 3, 4 with a = b = 17.0560(9), 17.720(4) angstrom; c = 10.9040(9), 11.251(3) angstrom; v = 2747.1(3), 3060(2) angstrom(3). 3 exhibits the strongest shg among thioborates that is about three times that of the benchmark aggas2 at 2.05 mu m. 1 and 3 also show an interesting structure relationship correlated to the size mismatching of the anionic building units that can be controlled by the experimental loading ratio of b:sb. syntheses, structure characterizations, and electronic structures based on the density functional theory calculations are reported. |
| WOS关键词 | AUGMENTED-WAVE METHOD ; CRYSTAL-STRUCTURE ; 2ND-HARMONIC GENERATION ; TRIGONAL-PLANAR ; SEMICONDUCTORS ; THIOBORATE ; ENERGY ; COORDINATION ; SPECTROSCOPY ; POLYCRYSTALS |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Inorganic & Nuclear |
| 语种 | 英语 |
| WOS记录号 | WOS:000354908000022 |
| 出版者 | AMER CHEMICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2376616 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Chen, Ling |
| 作者单位 | 1.Chinese Acad Sci, Fujian Inst Res Struct Matter, Key Lab Optoelect Mat Chem & Phys, Fuzhou 350002, Fujian, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Yan-Yan,Li, Bing-Xuan,Zhang, Ge,et al. Syntheses, characterization, and optical properties of centrosymmetric ba-3(bs3)(1.5)(ms3)(0.5) and noncentrosymmetric ba-3(bq(3))(sbq(3))[J]. Inorganic chemistry,2015,54(10):4761-4767. |
| APA | Li, Yan-Yan.,Li, Bing-Xuan.,Zhang, Ge.,Zhou, Liu-Jiang.,Lin, Hua.,...&Wu, Li-Ming.(2015).Syntheses, characterization, and optical properties of centrosymmetric ba-3(bs3)(1.5)(ms3)(0.5) and noncentrosymmetric ba-3(bq(3))(sbq(3)).Inorganic chemistry,54(10),4761-4767. |
| MLA | Li, Yan-Yan,et al."Syntheses, characterization, and optical properties of centrosymmetric ba-3(bs3)(1.5)(ms3)(0.5) and noncentrosymmetric ba-3(bq(3))(sbq(3))".Inorganic chemistry 54.10(2015):4761-4767. |
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来源：中国科学院大学
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