钴(Ⅱ)%镉(Ⅱ)%1,2,4-苯三酸%[2,3-f]吡嗪并[1,10]菲咯啉%晶体结构
鈷(Ⅱ)%鎘(Ⅱ)%1,2,4-苯三痠%[2,3-f]吡嗪併[1,10]菲咯啉%晶體結構
고(Ⅱ)%력(Ⅱ)%1,2,4-분삼산%[2,3-f]필진병[1,10]비각람%정체결구
cobalt(Ⅱ)%cadmium(Ⅱ)%1,2,4-benzenetricarboxylic acid%pyrazino[2,3-f][1,10]-phenanthroline%crystal structure
利用水热技术,合成了2个新的配合物 [Co(Hbtc)(Pyphen)(H2O)]· H2O]n (1)和{[Cd2(btc)(Pyphen)2Cl]·2H2O}n (2) (H3btc=1,2,4-苯三酸,Pyphen=[2,3-f]吡嗪并[1,10]-菲咯啉),并通过X-射线单晶衍射、元素分析、热重分析和荧光进行了表征.配合物1属三斜晶系,空间群p(-1),a =0.643 44(13) nm,b=1.2029(2) nm,c=1.3716(3) nm,α=95.03(3)°,β=90.46(3)°,γ=103.54(3)°,V=1.0277(4)nm3,Z=2,CoC23H16N4O8,Mr=535.31,Dc=1.730 g·cm-3,μ (Mo Kα) =0.900 mm-1,F (000)=546,GOOF=1.089,R =0.0992,wR =0.2490;配合物2属三斜晶系,空间群P(-1),a =0.968 93(8) nm,b=1.223 82(10) nm,c=1.592 21 (14) nm,α=67.486 0(10)°,β=73.158 0(10)°,γ=78.468 0(10)°,V=1.660 9(2) nm3,Z=2,Cd2C37H23N8O8Cl,Mr=967.88,Dc=1.935 g·cm-3,μ(Mo Kα)=1.432 mm-1,F(000)=956,GOOF=1.051,R =0.0779,wR=0.1412.结构分析表明:配合物1为无限一维双链结构,配合物2为二维层状结构.此外,氢键和π-π相互作用在加固配合物的结构中起到重要作用.
利用水熱技術,閤成瞭2箇新的配閤物 [Co(Hbtc)(Pyphen)(H2O)]· H2O]n (1)和{[Cd2(btc)(Pyphen)2Cl]·2H2O}n (2) (H3btc=1,2,4-苯三痠,Pyphen=[2,3-f]吡嗪併[1,10]-菲咯啉),併通過X-射線單晶衍射、元素分析、熱重分析和熒光進行瞭錶徵.配閤物1屬三斜晶繫,空間群p(-1),a =0.643 44(13) nm,b=1.2029(2) nm,c=1.3716(3) nm,α=95.03(3)°,β=90.46(3)°,γ=103.54(3)°,V=1.0277(4)nm3,Z=2,CoC23H16N4O8,Mr=535.31,Dc=1.730 g·cm-3,μ (Mo Kα) =0.900 mm-1,F (000)=546,GOOF=1.089,R =0.0992,wR =0.2490;配閤物2屬三斜晶繫,空間群P(-1),a =0.968 93(8) nm,b=1.223 82(10) nm,c=1.592 21 (14) nm,α=67.486 0(10)°,β=73.158 0(10)°,γ=78.468 0(10)°,V=1.660 9(2) nm3,Z=2,Cd2C37H23N8O8Cl,Mr=967.88,Dc=1.935 g·cm-3,μ(Mo Kα)=1.432 mm-1,F(000)=956,GOOF=1.051,R =0.0779,wR=0.1412.結構分析錶明:配閤物1為無限一維雙鏈結構,配閤物2為二維層狀結構.此外,氫鍵和π-π相互作用在加固配閤物的結構中起到重要作用.
이용수열기술,합성료2개신적배합물 [Co(Hbtc)(Pyphen)(H2O)]· H2O]n (1)화{[Cd2(btc)(Pyphen)2Cl]·2H2O}n (2) (H3btc=1,2,4-분삼산,Pyphen=[2,3-f]필진병[1,10]-비각람),병통과X-사선단정연사、원소분석、열중분석화형광진행료표정.배합물1속삼사정계,공간군p(-1),a =0.643 44(13) nm,b=1.2029(2) nm,c=1.3716(3) nm,α=95.03(3)°,β=90.46(3)°,γ=103.54(3)°,V=1.0277(4)nm3,Z=2,CoC23H16N4O8,Mr=535.31,Dc=1.730 g·cm-3,μ (Mo Kα) =0.900 mm-1,F (000)=546,GOOF=1.089,R =0.0992,wR =0.2490;배합물2속삼사정계,공간군P(-1),a =0.968 93(8) nm,b=1.223 82(10) nm,c=1.592 21 (14) nm,α=67.486 0(10)°,β=73.158 0(10)°,γ=78.468 0(10)°,V=1.660 9(2) nm3,Z=2,Cd2C37H23N8O8Cl,Mr=967.88,Dc=1.935 g·cm-3,μ(Mo Kα)=1.432 mm-1,F(000)=956,GOOF=1.051,R =0.0779,wR=0.1412.결구분석표명:배합물1위무한일유쌍련결구,배합물2위이유층상결구.차외,경건화π-π상호작용재가고배합물적결구중기도중요작용.
The title complexes,{[Co(Hbtc)(Pyphen)(H2O)].H2O}n (1) and {[Cd2(btc)(Pyphen)2Cl]·2H2O}n (2) (H3btc=1,2,4-benzenetricarboxylic acid,Pyphen=pyrazino [2,3-f][1,10]-phenanthroline) have been hydrothermally synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analyses,thermal gravimetry analysis (TGA) and luminescent property.Crystal 1 is of triclinic,space group P(-1) with a=0.643 44(13) nm,b=1.2029(2) nm,c=1.371 6(3) nm,tt=95.03(3)°,β=90.46(3)°,γ=103.54(3)°,V=1.027 7(4) nm3,Z=2,CoC23H16N4O8,Mr=535.31,Dc=1.730 g.cm-3,μ(Mo Kα)=0.900 mm-1,F(000)=546,GOOF=1.089,the final R=0.099 2 and wR=0.249 0 for 2 933 observed reflections (I＞2σ(I)).Crystal 2 is of triclinic,space group P(-1) with a=0.968 93(8) nm,b=1.223 82(10) nm,c=1.592 21 (14) nm,α=67.486 0(10)°,β=73.158 0(10)°,γ=78.468 0(10)°,V=1.660 9(2) nm3,Z=2,Cd2C37H23N8O8Cl,Mr=967.88,Dc=1.935 g·cm-3,μ(Mo Kα)=1.432 mm-1,F(000)=956,GOOF=1.051,the final R=0.0779 and wR=0.1412 for 4817 observed reflections (I＞2σ(I)).Structural analyses show that the complex 1presents an infinite one-dimensional polymeric double-chain structure and the complex 2 shows a twodimensional layered structure.Furthermore,the hydrogen-bonding and π-π stacking interactions play key roles in consolidating the complex structures.CCDC:829207,1; 829208,2.
