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Hydroisocyanurates X2Y(H2C3N3O3)4·4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H2C3N3O3)− anions

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Birefringent crystals, critical for the polarization of light, play an important role in the optoelectronics field. Herein, by introducing d10 cations into the structures, a family of hydroisocyanurates, X2Y(H2C3N3O3)4·4H2O (X… Click to show full abstract

Birefringent crystals, critical for the polarization of light, play an important role in the optoelectronics field. Herein, by introducing d10 cations into the structures, a family of hydroisocyanurates, X2Y(H2C3N3O3)4·4H2O (X = K, Cs; Y = Zn, Cd) were obtained, which exhibit large birefringence (Δn > 0.25@800 nm) resulting from the π-conjugated (H2C3N3O3)− groups and possess high transmittance (>80%) in the ultraviolet region. In addition, the structure–property relationship was analyzed by first-principles calculations.

Keywords: hydroisocyanurates x2y; conjugated h2c3n3o3; h2c3n3o3 4h2o; x2y h2c3n3o3; large birefringence

Journal Title: CrystEngComm
Year Published: 2020

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