Journal ArticleDOI
Structural modulation of molybdenyl iodate architectures by alkali metal cations in AMoO3(IO3) (A = K, Rb, Cs): a facile route to new polar materials with large SHG responses.
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TLDR
Three new molybdenyl iodates have been prepared through the hydrothermal reactions of MoO3 with AIO4 at 180 C, and UV-vis diffuse reflectance spectra of these compounds show a high degree of transparency from 1 to 3 eV and a band gap of 3.1 eV.Abstract:
Three new molybdenyl iodates, KMoO3(IO3) (1), RbMoO3(IO3) (2), and CsMoO3(IO3) (3), have been prepared through the hydrothermal reactions of MoO3 with AIO4 (A = K, Rb, or Cs) at 180 °C. These compounds are isolated as nearly colorless, air-stable crystals. Single-crystal X-ray diffraction experiments reveal that 1 possesses a corrugated layered structure constructed from molybdenum oxide chains that are bridged by iodate anions. The puckering of the layers is caused by the alignment of bent molybdenyl (MoO22+) groups along one side of the molybdenum oxide chains. The K+ cations separate these layers from one another and serve to balance charge. In contrast, compounds 2 and 3, which are isostructural, form three-dimensional structures with small cavities filled with Rb+ or Cs+ cations. The differences between the structures of 1 and those of 2 and 3 are due to rotation of the molybdenyl units as translation occurs down the molybdenum oxide chains in order to accommodate the increased size of the Rb+ and Cs...read more
Citations
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Asymmetric Cation Coordination in Oxide Materials: Influence of Lone-Pair Cations on the Intra-octahedral Distortion in d0 Transition Metals
TL;DR: The oxides that contain both a d0 transition metal (Ti4+, Nb5+, W6+, etc.) and a lone-pair cation (Sn2+, Se4+, Te4+, etc. as discussed by the authors ) were examined to investigate the influence of the logname cation on the performance of the oxides.
Journal ArticleDOI
Beryllium-free Li4Sr(BO3)2 for deep-ultraviolet nonlinear optical applications.
Sangen Zhao,Pifu Gong,Lei Bai,Xiang Xu,Shuquan Zhang,Zhihua Sun,Zheshuai Lin,Maochun Hong,Chuangtian Chen,Junhua Luo +9 more
TL;DR: It is suggested that Li4Sr(BO3)2 is an attractive candidate for the next generation of deep-ultraviolet NLO materials, which preserves the structural merits of KBBF and enhances the efficiency of second-harmonic generation by more than half that of KB BF.
Journal ArticleDOI
Alignment of acentric MoO3F33− anions in a polar material: (Ag3MoO3F3)(Ag3MoO4)Cl
TL;DR: In this paper, a transparent colorless crystal was synthesized by hydra(solvato)thermal methods and characterized by single-crystal X-ray diffraction (P3m1.1. No. 156, Z = 1, a = 7.4488(6) A, c = 5.9190(7) A).
Journal ArticleDOI
Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis
TL;DR: Several metal thiophosphate compounds are highlighted to exhibit good mid-IR NLO performances, as supported by the primary experimental results, which would greatly promote the development of the mid- IR NLO functional materials.
Journal ArticleDOI
BaNbO(IO3)5: a new polar material with a very large SHG response.
TL;DR: A new SHG material, BaNbO(IO(3))(5), has been prepared that exhibits a very large SHG response and is phase-matchable and has high thermal stability and a wide transparent region.
References
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