Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence.

  title={Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence.},
  author={Wenhao Xing and Pan Fang and Naizheng Wang and Zhuang Li and Zheshuai Lin and Jiyong Yao and Wenlong Yin and Bin Kang},
  journal={Inorganic chemistry},
Highly polarizable mixed-anion structural building units (SBUs) have been demonstrated as promising candidates for high-performing optical crystals. In this work, two new mixed-anion SBUs of [GeOSe3] and [GeO3S] are first designed through partial isovalent substitution of chalcogen atoms by O atoms in the classical [GeQ4] (Q = S, Se) tetrahedra. On the basis of these SBUs, two new quaternary oxychalcogenides, Sr3Ge2O4Se3 and SrGe2O3S2, are successfully synthesized. Sr3Ge2O4Se3 crystallizes in… 
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AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−
A series of nonlinear optical (NLO) chalcohalides AXHg3P2S8 (A = Rb, Cs; X = Cl, Br), which contain various Hg‐based building units including mixed‐anion trigonal planar [HgS2X]3− and tetrahedral
Heteroanionic Melilite Oxysulfide: A Promising Infrared Nonlinear Optical Candidate with a Strong Second-Harmonic Generation Response, Sufficient Birefringence, and Wide Bandgap.
The achievement of balanced performance with a strong second-harmonic generation (SHG) response, proper birefringence, and wide band gap concurrently is a crucial but challenging task in infrared
Recent progress in oxychalcogenides as IR nonlinear optical materials.
The rich coordination environment of mixed-anion frequency-doubling building units focusing on the correlations between their non-centrosymmetric structures and NLO properties, as well as their synthetic methods are discussed.


Function of Tetrahedral ZnS3O Building Blocks in the Formation of SrZn2S2O: A Phase Matchable Polar Oxysulfide with a Large Second Harmonic Generation Response
Single crystals of a new zinc oxysulfide SrZn2S2O were grown in a eutectic KF–KCl flux, and the structure was determined by single-crystal X-ray diffraction. SrZn2S2O crystallizes in the
Partial Congener Substitution Induced Centrosymmetric to Noncentrosymmetric Transformation Witnessed by K3Ga3(Ge7-xMx)Se20 (M = Si, Sn) and Their Nonlinear Optical Properties.
A simple strategy of partial congener substitution is introduced to induce transformation of the known centrosymmetric K3 Ga3Ge7Se20 (P21/c) to the new isostructural NCS species K3Ga3(Ge6.17Sn0.83)Se20(2) (Pc), which is verified by the NLO activities.
[ABa2Cl][Ga4S8] (A = Rb, Cs): Wide-Spectrum Nonlinear Optical Materials Obtained by Polycation-Substitution-Induced NLO-Functional Motif Ordering.
The CS-to-NCS transformation firstly realized by polycation-substitution-induced NLO-functional motif ordering provides an effective approach for designing new NLO materials.
Molten Alkali Halide Flux Growth of an Extensive Family of Noncentrosymmetric Rare Earth Sulfides: Structure and Magnetic and Optical (SHG) Properties.
Twenty new alkali rare earth thiosilicates and thiogermanates with the general formula ALnTS4 were grown as X-ray diffraction-quality single crystals from molten alkali chloride fluxes to discuss the use of a molten chloride flux growth approach for the preparation of the title compounds and their structure determination via single-crystal X-Ray diffraction.
Li[LiCs 2 Cl][Ga 3 S 6 ]: A Nanoporous Framework of GaS 4 Tetrahedra with Excellent Nonlinear Optical Performance
A large nonlinear optical (NLO) coefficient and a wide band gap are two crucial but contradictory parameters that are difficult to achieve simultaneously in a single infrared (IR) NLO compound. A
Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap.
Density functional theory calculations indicate that the band edges are mainly composed of the Ga-S bond orbitals, with little participation of O 2p near the valence band maximum.
Sr6 Cd2 Sb6 O7 S10 : Strong SHG Response Activated by Highly Polarizable Sb/O/S Groups.
It is proposed that oxysulfide groups with an ns2 electron configuration can serve as new functional building units in NLO materials and opens a new avenue for the design of other optoelectronic materials.
Polar or nonpolar? A+ cation polarity control in A2Ti(IO3)6 (A = Li, Na, K, Rb, Cs, Tl).
The authors' calculations on Na(2)Ti(IO(3))(6) indicate that polarization reversal is energetically very unfavorable, rendering the material polar but not ferroelectric, and the change from NCS polar to CS nonpolar is explained.
M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials.
Two novel noncentrosymmetric alkaline earth fluorooxoborates showed not only remarkable stability against air and moisture but also high thermal stability, therefore, M2B10O14F6 (M = Ca, Sr) should be promising deep-ultraviolet (DUV) NLO materials.