A new Cd~Ⅱ coordination complex,namely [Cd（iba）_2]_n（1）,was prepared by the hydrothermal reaction of Cd（NO_3）_2·4H_2O with 4-imidazol-1-yl-benzoic acid（Hiba）. Single-crystal X-ray diffraction analysis sh...A new Cd~Ⅱ coordination complex,namely [Cd（iba）_2]_n（1）,was prepared by the hydrothermal reaction of Cd（NO_3）_2·4H_2O with 4-imidazol-1-yl-benzoic acid（Hiba）. Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes in monoclinic system,space group Cc with a = 11.403（4）,b = 30.480（9）,c = 7.732（3） ？,β = 130.189（4）o,V = 2503.0（1） ？~3,Z = 4,C_（22）H_（18）CdN_4O_4,Mr = 514.80,Dc = 1.666 g/cm^3,F（000） = 1032 and μ（Mo Kα） = 1.101 mm-1. The final R and wR are 0.0573 and 0.1823 for 4421 observed reflections with I 〉 2σ（I）. Each iba-ligand coordinates in a bidentate fashion,connecting the Cd（Ⅱ） atoms to form a 2D wave-shape layer structure,which can be simplified as a four-connected topological net. Interestingly,the 2D layers are further extended into a 3-fold interpenetrating 3D architecture. Compound 1 displays an emissive maximum at 455 nm in the solid state at room temperature and a response of the second harmonic generation（SHG） activity is approximately 0.8 times that of KDP.展开更多
基金Research Project Supported by the National Natural Science Foundation of China Youth Project(21501155)Shanxi Scholarship Council of China(No.2013-082)Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Province
文摘A new Cd~Ⅱ coordination complex,namely [Cd（iba）_2]_n（1）,was prepared by the hydrothermal reaction of Cd（NO_3）_2·4H_2O with 4-imidazol-1-yl-benzoic acid（Hiba）. Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes in monoclinic system,space group Cc with a = 11.403（4）,b = 30.480（9）,c = 7.732（3） ？,β = 130.189（4）o,V = 2503.0（1） ？~3,Z = 4,C_（22）H_（18）CdN_4O_4,Mr = 514.80,Dc = 1.666 g/cm^3,F（000） = 1032 and μ（Mo Kα） = 1.101 mm-1. The final R and wR are 0.0573 and 0.1823 for 4421 observed reflections with I 〉 2σ（I）. Each iba-ligand coordinates in a bidentate fashion,connecting the Cd（Ⅱ） atoms to form a 2D wave-shape layer structure,which can be simplified as a four-connected topological net. Interestingly,the 2D layers are further extended into a 3-fold interpenetrating 3D architecture. Compound 1 displays an emissive maximum at 455 nm in the solid state at room temperature and a response of the second harmonic generation（SHG） activity is approximately 0.8 times that of KDP.
