Abstract Nonlinear optical (NLO) crystal, which simultaneously exhibits strong second‐harmonic‐generation (SHG) response and desired anisotropy, is a core material accessible to the modern optoelectronics. Accompanied by SHG effect in NLO contradictory problem of overlarge birefringence ignored, leading low frequency doubling efficiency poor beam quality. Herein, series rare earth cyanurates RE 5 (C 3 N O )(OH) 12 ( =Y, Yb, Lu) were successfully characterized 3D electron diffraction...

Practical ultraviolet nonlinear optical (NLO) crystals are indispensable in modern scientific equipment and solar‐blind communication systems. Herein, a new hydroisocyanurate NLO crystal, Cs 3 Na(H 2 C N O ) 4 · 3H ( 1 ), was grown by facile aqueous solution method. It features two‐dimensional layered structure composed of coplanar large π‐conjugated ∞ [H ] – isocyanurate ribbons. More importantly, it exhibits concurrently short phase‐matching capability (λ pm ≈ 227 nm) considerable...

Single crystals of K6Cd3(C3N3O3)4 (1) were successfully grown via a solid-state cyclotrimerization reaction method from CdCl2 and KOCN. To our best knowledge, it is the first inorganic compound containing isolated six-membered-ring (6-MR) anionic groups that crystallizes in cubic system. In structure, basic 6-MR unit planar π-conjugated (C3N3O3)3– group isoelectronic with (B3O6)3– group, as observed benchmark nonlinear-optical (NLO) crystal β-BaB2O4 strong second-harmonic-generation...

A new phase of Ba3(C3N3O3)2 (I) was grown from RbCNO and BaCl2 by a solid state cyclo-trimerization reaction. It crystallizes in space group R3̅ with the cell parameters = 7.0934(2) Å c 20.1130(9) Å, featuring layered structure stacked ∞2[Ba(C3N3O3)2]2– double layers along direction. I exhibits wide ultraviolet transparency large optical anisotropy Δn 0.32 at 800 nm, two times than that benchmark birefringent crystal calcite. The discovery shows replacement calcite is conceivable opens novel...

Mixed alkali/alkali-earth metal hydroisocyanurates A₂B(H₂C₃N₃O₃)₄·<italic>n</italic>H₂O (A = K, Rb, Cs; B Mg, Ca, <italic>n</italic> 4, 10) with strong optical anisotropy were grown.

Mixed-alkali-metal hydroisocyanurate nonlinear-optical crystal RbLi(HC3N3O3)·2H2O was grown by a facile aqueous solution method. It exhibits short phase-matching wavelength (λPM = 239 nm) and strong second-harmonic-generation response (deff 2.1KDP) benefitting from the well-aligned planar π-conjugated (HC3N3O3)2– anions, as confirmed first-principles calculations. Moreover, solar blind ultraviolet radiation can be reached using title via fourth-harmonic-generation technique of Nd-based...

Superior behavior for supercapacitors highlight the potential applications of CFGC in energy storage issues.

Abstract A rhodium‐catalyzed tandem reaction of isocyanides with 2,2,2‐trifluorodiazoethane and various nucleophiles has been developed. The protocol provides a simple highly efficient method for the construction trifluoroethyl‐substituted isoquinolines, imidates amidines broad substrate scope in good to high yields. These reactions feature readily available starting materials, three‐component, one‐pot procedure, yields, scope, functional group tolerance, excellent stereoselectivity. magnified image

The two new metal cyanurates Ba2M(C3N3O3)2 (M = Sr, Pb) were successfully grown by a solid-state cyclotrimerization reaction. electronic energy bands of are totally divergent in spite their same structures and similar interlayer distances. Theoretical calculations show the narrowing band gap Ba2Pb(C3N3O3)2 stems from strong interaction between Pb 6p orbitals anti-π (C3N3O3)3- groups.

The “lock-in effect” of LiO₄tetrahedra contributes to the alignment π-conjugated layers maximize optical anisotropy in metal hydroisocyanurates.

Optimal arrangements of π-conjugated anions in alkaline earth metal hydro-isocyanurates with rich structures result large birefringence and a giant nonlinear optical effect.

Rare-earth (

Abstract Second‐harmonic nonlinear‐optical (NLO) crystals with intrinsically noncentrosymmetric (NCS) structures are the core crystalline materials in modern optics and laser technology. Here, taking as‐grown centrosymmetric NaY(CO 3 ) 2 NCS YOHCO as an example, a partial anion substitution strategy carbonate system is provided to develop NLO remarkable property for first time, while outstanding linear optical properties such wide bandgap large birefringence maintained. Notably, benefiting...

A series of new hydroisocyanurates X₂Y(H₂C₃N₃O₃)₄·4H₂O (X = K, Cs; Y Zn, Cd) with large birefringence resulting from the π-conjugated (H₂C₃N₃O₃)⁻unit have been obtained.

A novel rhodium-catalyzed homodimerization–cyclization reaction of two vinyl isocyanides has been developed for the synthesis 2-(isoquinolin-1-yl)oxazoles by formation three new bonds and rings in a single step.

Birefringent materials with strong optical anisotropy are indispensable for optoelectronic devices as polarizers, isolators, and beam splitters, etc. Here, a new ionic cocrystal KBr·H3C3N3O3 (I) was synthesized by facile fast mechanochemical reaction. I can be described stacking of [(H3C3N3O3)Br]− layers via hydrogen bonds separated K+ cations along the a-axis. The experimental theoretical results reveal that exhibits short ultraviolet cutoff (216 nm) large birefringence (Δn = 0.273 at 800...

A NaN(SiMe3)2/CsTFA copromoted aminobenzylation/cyclization reaction of 2-isocyanobenzaldehydes with toluene derivatives or benzyl compounds has been developed. The works a broad range and compounds, provides simple efficient strategy for the synthesis 4-benzyl-substitued dihydroquinazoline quinazoline from easily available acyclic starting materials in single step. Further applications, including quinazoline, dihydroindolo[1,2-c]quinazoline, dihydro-8H-isoquinolino[2,3-c]quinazoline,...

Two gallium-based borates, K3Ba3Li2Ga4B6O20F (I) and Rb3Ba3Li2Ga4B6O20F (II), have been successfully grown in the M2O (M = K, Rb)-LiF-B2O3 flux. They can be recognized as element cosubstitutions of Sr for K/Rb Ba Be Li Ga from Sr2Be2(BO3)2O (SBBO), which uses poisonous beryllium oxide during synthesis crystal growth process also exhibits problem structural instability. The isostructural borates crystallize into noncentrosymmetric space group P6̅2 c, with a 8.6398(12) Å c 16.827(3) I...

Birefringent crystals with optical anisotropy, which are employed to modulate the polarization of light, play a vital role in many fields industry. In this Communication, two mixed alkali metal hydroisocyanurates, RbLi(H2C3N3O3)2·2H2O (I) and CsLi(H2C3N3O3)2·2H2O (II), were synthesized by simple aqueous solution method, they feature layered structures composed ∞2[H2C3N3O3]− ribbons through hydrogen bonds separation water molecules cations. They exhibit simultaneously short ultraviolet cutoff...