Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (09): 778-783.doi: 10.3866/PKU.WHXB19980903

• ARTICLE • Previous Articles     Next Articles

The Crystal Structure and the Second Harmonic Generation Efficiency of the Sulfosalicylate

Li Yue-Qing, Deng Li-Zhi, Zhou Xiao-Hai, Zhang Shao-Hui, Yang Qing-Chuan   

  1. Chemistry Department of Wuhan University,Wuhan 430072|Physical Chemistry Research Institute of Peking University,Beijing 100871
  • Received:1997-11-24 Revised:1998-01-19 Published:1998-09-15
  • Contact: Zhang Shao-Hui

Abstract:

By means of the X-ray single crystal diffraction method, the crystal structures of calcium 5-suifosalicylate trihydrate (C14H10O12S2Ca•3H2O, 1) and potassium 5-sulfosalicylate dihydrate (C7H4O6SK2•2H2O, 2) were determined. Compound 1 belongs to monoclinic system, space group is Pn, unit cell parameter a=5. 604(1) Å, b=18.560(4) Å, c=10.006(2) Å, β=102.19(3) ° ,V=1017.2(3) Å3, Z=2, dc=1.725g•cm-3, in the end R=0.0244. Compound 2 belongs to orthorhombic system, space group is Pbca, unit cell parameter a=25.841(5) Å, b=12.186(2) Å, c=7.739(2) Å.V=2437.0(9) Å 2; Z=8, dc=1.801g.cm-3, in the end R=0.0308. The powder second harmonic generation(SHG) efficiency of compound 1 is as 2.86 times as that of KH2PO4. The ultraviolet absorption edge of its centimeter sizes single crystal is about 375nm.

Key words: Sulfosalicylate, Crystal structure, Organic second harmonic generation crystal