Crystals of a new organometallic nonlinear optical （NLO） compound, di-ta-chloro-bis[chlorotri（thiourea）bismuth（Ⅲ）]- pentachloro（thiourea）bismuth-ate（Ⅲ） （DCBPB）, have been successfully grown from formic a...Crystals of a new organometallic nonlinear optical （NLO） compound, di-ta-chloro-bis[chlorotri（thiourea）bismuth（Ⅲ）]- pentachloro（thiourea）bismuth-ate（Ⅲ） （DCBPB）, have been successfully grown from formic acid aqueous solutions of thio-urea and bismuth chloride by a slow evaporation technique. The crystal structure and atomic composition of DCBPB have been confirmed by single crystal X-ray diffraction （SCXRD）, Fourier transform infrared spectra, and elemental analysis. The SCXRD results proved that DCBPB crystallizes in triclinic space group P1 with unit cell dimensions of a = 7.0606（2） A, b = 8.8106（4） A, c = 16.3247（8） A, a = 99.242（4）°, fl = 95.309（3）°, ）/= 105.856（3）°, and Z= 2. DCBPB crystal exhibits excel-lent transmittance from 500 to 2500 nm and green fluorescence with maximum emission at 508 nm. The thermogravimetric-differential scanning calorimetry （TG-DSC） analysis indicates that a solid-phase reaction took place at 170.1 ℃, whereas the decomposition temperature of the crystal material was 189℃. The NLO property obtained by the Kurtz powder test showed that the second harmonic generation efficiency of DCBPB crystal is two-seventh of KDP crystal.展开更多
基金the support by the National Key Research and Development Program of China(No.2016YFC0400408)
文摘Crystals of a new organometallic nonlinear optical （NLO） compound, di-ta-chloro-bis[chlorotri（thiourea）bismuth（Ⅲ）]- pentachloro（thiourea）bismuth-ate（Ⅲ） （DCBPB）, have been successfully grown from formic acid aqueous solutions of thio-urea and bismuth chloride by a slow evaporation technique. The crystal structure and atomic composition of DCBPB have been confirmed by single crystal X-ray diffraction （SCXRD）, Fourier transform infrared spectra, and elemental analysis. The SCXRD results proved that DCBPB crystallizes in triclinic space group P1 with unit cell dimensions of a = 7.0606（2） A, b = 8.8106（4） A, c = 16.3247（8） A, a = 99.242（4）°, fl = 95.309（3）°, ）/= 105.856（3）°, and Z= 2. DCBPB crystal exhibits excel-lent transmittance from 500 to 2500 nm and green fluorescence with maximum emission at 508 nm. The thermogravimetric-differential scanning calorimetry （TG-DSC） analysis indicates that a solid-phase reaction took place at 170.1 ℃, whereas the decomposition temperature of the crystal material was 189℃. The NLO property obtained by the Kurtz powder test showed that the second harmonic generation efficiency of DCBPB crystal is two-seventh of KDP crystal.
