摘要
以三聚氰胺和硼酸为原料在水溶液中反应合成出了一种新的BCN化合物先驱体C3N6H6(H3BO3)2。XRD表征结果表明三聚氰胺和硼酸的最佳配比为1∶3(物质的量比)。用单晶X-射线衍射分析法测定了该化合物的晶体结构。该化合物属单斜晶系,空间群为P21/C,晶胞参数为a=0.3597(7)nm,b=2.0105(4)nm,c=1.4112(3)nm,α=90,°β=92.07(3),°γ=90,°V=1.0199(3)nm3,Z=4,D c=1.627g.cm-3,μ(MoKα)=0.144mm-1,F(000)=520。晶体结构经全矩阵最小二乘法修正,最终可靠因子R1=0.0519,wR2=0.1361。该化合物是由C3N6H6分子和H3BO3分子通过氢键加合组装形成的三维超分子结构化合物。
precursor for BCN compound C3N6H6（ H3BO3 ）2 was synthesized with C3N6H6 and H3BO3 as raw materials in aqueous solution. XRD characterization of the precipitated products revealed that the optimum molar ratio of C3 N6H6 to H3BO3 is 1： 3. The crystal structure of the compound was determined by single - crystal X - ray diffraction. The crystal belonged to a monoclinic system with P21/C space group,a =0. 35970（7） nm,b =2. 0105 （4） nm,c = 1. 4112（3） nm,α =90° ,β=92.07（3）° ,γ =90° ,V = 1. 0199 （3）nm3 ,Z=4,Dc=1.627g · cm^3,μ（MoKα） =0. 144mm^-1 ,F（000） =520,R1 =0. 0519,wR2 =0. 1361 for 1997 observed reflections with [ I 〉 2σ （ I ） ]. C3N6H6 （ H3BO3 ） 2 exhibited a 3 D supramolecular network structure which was established by hydrogen- bonding interactions between C3N6H6 and H3BO3 molecules.
出处
《化学研究与应用》
CAS
CSCD
北大核心
2006年第1期21-26,共6页
Chemical Research and Application
基金
国防化工新材料重点科研项目
