A(NH2SO3)(A=Li,Na):Two ultraviolet transparent sulfamates exhibiting second harmonic generation response
Two alkali-metal sulfamates nonlinear optical(NLO)crystals,Li(NH2SO3)and Na(NH2SO3),have been obtained through the facile evaporation method.Li(NH2SO3)crystallizes in the polar space group Pca21(No.29).The structure of Li(NH2SO3)can be described as a 3D network formed by[LiO4]7-polyhedral connecting with NH2SO3-tetrahedra through corner-sharing.Na(NH2SO3)crystallizes in the polar space group P212121(No.19).The structure of Na(NH2SO3)can be described as a 3D network formed by distorted[NaO6]11-octahedral connecting with NH2SO3-tetrahedra through corner-sharing.The UV-Vis-near-infrared spectra demonstrate that Li(NH2SO3)and Na(NH2SO3)possessed large optical band gaps of 5.25 and 4.81 eV,respectively.Powder second-harmonic generation(SHG)measurements demonstrate that the SHG intensity of Li(NH2SO3)and Na(NH2SO3)were 0.32 times and 0.31 times that of KH2PO4,respectively.First-principles calculations confirm the nonlinear optical performance mainly derived from the synergistic effect of amino sulfonate anions and alkali metal oxide anionic polyhedra.CCDC:2339109,Li(NH2SO3);2339110,Na(NH2SO3).
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