Tungsten dioxo complex WO 2(C 9H 6NO) 2 was obtained via the low temperature solid-state reaction of(NH 4) 2WS 4, 8-hydroxyquinoline(8-hq) and(CH 3) 4NI, and it was characterized by means of elemental analyse...Tungsten dioxo complex WO 2(C 9H 6NO) 2 was obtained via the low temperature solid-state reaction of(NH 4) 2WS 4, 8-hydroxyquinoline(8-hq) and(CH 3) 4NI, and it was characterized by means of elemental analyses, IR spectroscopy and X-ray diffraction analysis. The crystal of the title compound belongs to monoclinic, space group C2/c, with the crystal cell parameters: a=1.3316(3) nm, b=0.94444(19) nm, c=1.3485(3) nm, β=109.66(3)°, V=1.5970(6) nm 3, Z=6. The title compound possesses a supramolecular structure formed through hydrogen bonds and π-π stacking interactions. The third-order non-linear optical(NLO) properties of the title compound were also investigated. The third-order non-linear absorption coefficient α 2 and refractive index n 2 are 0.85×10 -11 m/W -1 and -1.5×10 -19 m 2/W, respectively. The third-order non-linear susceptibility χ (3) is 3.03×10 -13 esu for 3.8×10 -5 mol/L sample concentration.展开更多
The hydrothermal reactions of CuI, KI and bidentate amines [ 1,10 phenanthroline (phen) or ethylenediamine (en)] gave the three copper(I) halide compounds, Cu3I3(phen)2 (1), CuI(phen)2 (2) and 2 (3), which were stru...The hydrothermal reactions of CuI, KI and bidentate amines [ 1,10 phenanthroline (phen) or ethylenediamine (en)] gave the three copper(I) halide compounds, Cu3I3(phen)2 (1), CuI(phen)2 (2) and 2 (3), which were structurally characterized via singlecrystal Xray diffraction studies. Hydrogen bonds and ππ interactions are the most remarkable structural features of the title compounds. All can be described as higherdimensional supramolecular compounds connected via these secondary bondings. Moreover, the title compounds were characterized by elemental analyses, IR spectra and TGA analyses. The thirdorder nonlinear optical properties of the title compounds were also investigated and all exhibit nicer nonlinear absorption and selffocusing performance.Keywords copper(I) halide, hydrothermal synthesis, the thirdorder nonlinear optical property, supramolecular structure展开更多
The electron structures and the non-linear optical properties of phthalocyanines and asymmetrically substituted phthalocyanines are studied with the AM1 method. The results show that the fertbutyl-nitro-phthalocyanine...The electron structures and the non-linear optical properties of phthalocyanines and asymmetrically substituted phthalocyanines are studied with the AM1 method. The results show that the fertbutyl-nitro-phthalocyanines have much higher second order non-linear optical coefficients .展开更多
Coordination complexes derived thiosemicarbazone ligands were designed to exhibit the potential factors to influence the molecular packing. The aromatic group 4,5 diazafluorene can form strong hydrogen bonds with the ...Coordination complexes derived thiosemicarbazone ligands were designed to exhibit the potential factors to influence the molecular packing. The aromatic group 4,5 diazafluorene can form strong hydrogen bonds with the lattice water molecules from which connect the molecules aggregating into a one dimensional screw chain. It seems that the existence of those hydrogen bonds is essential for the molecules crystallized in noncentral space group and exhibiting obviously SHG efficiency.展开更多
基金the National Natural Science Foundation of China(No.2 0 2 710 2 1)
文摘Tungsten dioxo complex WO 2(C 9H 6NO) 2 was obtained via the low temperature solid-state reaction of(NH 4) 2WS 4, 8-hydroxyquinoline(8-hq) and(CH 3) 4NI, and it was characterized by means of elemental analyses, IR spectroscopy and X-ray diffraction analysis. The crystal of the title compound belongs to monoclinic, space group C2/c, with the crystal cell parameters: a=1.3316(3) nm, b=0.94444(19) nm, c=1.3485(3) nm, β=109.66(3)°, V=1.5970(6) nm 3, Z=6. The title compound possesses a supramolecular structure formed through hydrogen bonds and π-π stacking interactions. The third-order non-linear optical(NLO) properties of the title compound were also investigated. The third-order non-linear absorption coefficient α 2 and refractive index n 2 are 0.85×10 -11 m/W -1 and -1.5×10 -19 m 2/W, respectively. The third-order non-linear susceptibility χ (3) is 3.03×10 -13 esu for 3.8×10 -5 mol/L sample concentration.
基金theNationalNaturalScienceFoundationofChina (No .2 97330 90 )theDoctoralProgramofHigherEducation(No.19990 18310 )
文摘The hydrothermal reactions of CuI, KI and bidentate amines [ 1,10 phenanthroline (phen) or ethylenediamine (en)] gave the three copper(I) halide compounds, Cu3I3(phen)2 (1), CuI(phen)2 (2) and 2 (3), which were structurally characterized via singlecrystal Xray diffraction studies. Hydrogen bonds and ππ interactions are the most remarkable structural features of the title compounds. All can be described as higherdimensional supramolecular compounds connected via these secondary bondings. Moreover, the title compounds were characterized by elemental analyses, IR spectra and TGA analyses. The thirdorder nonlinear optical properties of the title compounds were also investigated and all exhibit nicer nonlinear absorption and selffocusing performance.Keywords copper(I) halide, hydrothermal synthesis, the thirdorder nonlinear optical property, supramolecular structure
文摘The electron structures and the non-linear optical properties of phthalocyanines and asymmetrically substituted phthalocyanines are studied with the AM1 method. The results show that the fertbutyl-nitro-phthalocyanines have much higher second order non-linear optical coefficients .
文摘Coordination complexes derived thiosemicarbazone ligands were designed to exhibit the potential factors to influence the molecular packing. The aromatic group 4,5 diazafluorene can form strong hydrogen bonds with the lattice water molecules from which connect the molecules aggregating into a one dimensional screw chain. It seems that the existence of those hydrogen bonds is essential for the molecules crystallized in noncentral space group and exhibiting obviously SHG efficiency.
