Crystal Structures, Luminescent Properties and Hirshfeld Surface Analyses of Zn(Ⅱ) and Cd(Ⅱ) Compounds Based on 1-(2-Carboxyl-phenyl)-3-(pyridin-2-yl)pyrazole

摘要

Two compounds,[Zn2(Hcppp)2(cppp)2(H2O)2]·2NO3·6H2O (1) and [Cd(Hcppp)2C12]·3H2O (2) (Hcppp =1-(2-carboxyl-phenyl)-3-(pyridin-2-yl)pyrazole),are synthesized and characterized by IR,TGA and X-ray single-crystal/powder diffraction.Compound 1 crystallizes in monoclinic system,space group P21/c with a =9.894(2),b =15.856(3),c =20.430(4) (A),β =101.70(3)°,V =3138.5(11) (A)3,Z =2,Mr=1457.94,Dc =1.543 g/cm3,F(000) =1504,R =0.0278 and wR =0.0749 for 6157 observed reflections (Ⅰ ＞ 2σ(Ⅰ)).Compound 2 crystallizes in triclinic system,space group P-1 with a =9.1424(4),b =11.6427(5),c =16.1345(7) (A),a =102.6430(10)°,β =95.4530(10)°,γ =104.0060(10)°,V=1605.94(12) (A)3,Z =2,Mr=767.88,Dc =1.588 g/cm3,F(000) =776,R =0.0307 and wR =0.0764 for 6275 observed reflections (Ⅰ ＞ 2σ(Ⅰ)).Compound 1 exhibits a binuclear structure while compound 2 shows a mononuclear structure.In compound 1,two cppp ligands display the μ2-kN,N'∶kO and two Heppp ligands show the μ1-kN,N'coordination modes.However,two Hcppp ligands connect one Cd(Ⅱ) cation and exhibit theμ1-kN,N'binding mode in compound 2.The compounds are both studied using Hirshfeld surface analyses and 2D fingerprint plots.The luminescent properties are also discussed.