脒基硫脲和氯离子为主体晶格的四丁基铵包合物的制备与晶体结构  

Synthesis and Crystal Structure of Tetrabutylammonium Cation Inclusion Compound with Amidinothiourea Molecules and Chloride Anion as Host Lattice Building

作　　者：吴元勇 杨媛[1,2] WU Yuan-yong;YANG Yuan(School of Chemistry and Materials Science,Guizhou Normal University,Guizhou Guiyang 550001,China;Key Lab of Functional Materials Chemistry of Guizhou Province,Guizhou Guiyang 550001,China)

机构地区：[1]贵州师范大学化学与材料科学学院,贵州贵阳550001 [2]贵州省功能材料化学重点实验室,贵州贵阳550001

出　　处：《贵阳学院学报（自然科学版）》2017年第4期6-9,22,共5页Journal of Guiyang University：Natural Sciences

基　　金：贵州省科学技术基金:"高活性煤基活性炭的掺杂方法制备及其应用研究"(项目名称:黔科合LH字[2014]7055)

摘　　要：利用拥有质子给体和受体的脒基硫脲、稀盐酸和正四丁基氢氧化铵制备出了一种新型的包合物(C_2H_7N_4S)^+·Cl^-(n-C_4H_9)N^+,并使用X射线单晶衍射试验方法对其结构进行了测定,结果表明,晶体属单斜晶系,P2_1/c空间群,其中a=1.01038(1)nm,b=1.48052(2)nm,c=1.62384(2)nm,β=97.637(2)°,V=2.40754(5)nm^3,Z=4,R_1=0.1648,wR=0.5007(I>2σ(I))。在标题化合物的晶体结构中,脒基硫脲除了存在一个N-H…S内氢键外,还和氯离子构成了两个N-H…Cl氢键,形成沿a轴无限延伸的氢键宽链。正四丁基铵阳离子也以‘头碰头’的形式构成了沿b轴无限延伸的‘S’长链,并把主体分子包含其中,脒基硫脲、氯离子和正四丁基铵阳离子通过氢键和静电相互作用共同构建出了一个新颖的包合物结构。A novel orginic supramolecular complex(C 2H 7N 4S)+·Cl-(n-C 4H 9)N+has been prepared and structurally characterized by single crystal X-ray diffraction.Crystal structural analysis shows that the complex is monoclinic,with space group P 2 1/c,a=1.01038(1)nm,b=1.48052(2)nm,c=1.62384(2)nm,β=97.637(2)°,V=2.40754(5)nm 3,Z=4,R 1=0.1648,wR=0.5007(I>2σ(I)).In the crystal structure of the novel orginic compound,there are broad hydrogen bonds chains along a axis formed with one N-H…S innermolecular hydrogen bond of the amidinothiourea and two N-H…Cl hydrogen bonds between the amidinothiourea molecules and chloride anions.The unlimited extension chains of‘S’type which include the amidinothioureamolecules and chlorine anions are generated by tetrabutylammonium cations.

关 键 词：脒基硫脲 季铵盐 包合物 氢键 晶体结构 

分 类 号：O641[理学—物理化学]