Crystal Growth And NLO Properties Of Di-?-chloro-bis[Chlorotri(Thiourea) Bismuth(?)]-pentachloro(Thiourea)bismuthate(?)

Crystals of a new organometallic nonlinear optical(NLO)compound have been successfully grown from formic acid aqueous solutions of thiourea and bismuth chloride by slow evaporation technique by means of reaction solvent screening.The molecule structure of the coordination is confirmed by SCXRD,FTIR,FT-Raman and elemental analyzer,and its molecular formula is di-?-chloro-bis-[chlorotri(thiourea)bismuth(III)]-pentachloro(thiourea)bismuthate(III)(DCBPB).The SCXRD of DCBPB testimony proves it crystallizes in triclinic space group P1 with unit cell dimensions of a= 7.0606(2)?,b= 8.8106(4)?,c= 16.3247(8)?,?= 99.242(4)°,?= 95.309(3)°,?= 105.856(3)°,Z=1.Firstly,in order to find out the suitable condition for DCBPB synthesis,we study the effect of reaction conditions,including reaction temperature,molar ratio of bismuth chloride and thiourea in reaction,volume ratio of formic acid and water in reactive solvents,on the purity of DCBPB.Solubility of DCBPB range 20°C to 40°C was determined by dynamic method,and DCBPB single crystals growth conditions were studied by constant temperature slow evaporation technique at 20°C,30°C,40°C.As to performance test for DCBPB,second harmonic generation(SHG)test was carried out by Kurtz-Perry powder method.UV-Visible spectrometer,fluorescence spectrophotometer,thermal gravimetric analyzer were used to determine its optical transmittance spectrum,fluorescence and thermal stability respectively.We discovered mutual transformation process between DCBPB and ?-bismuth thiourea chloride(?-BTC)suspended in solution,the ratio of ?-BTC converting into DCBPB in formic acid aqueous solution(V/V = 3:2)is 5.33 times as well as the ratio of DCBPB converting into ?-BTC in hydrochloric acid(pH=0.50)at same 40°CNo similar reports to above research have been published in literatures up to date.