2-氟苯胺苹果酸氢键型有机晶体材料的设计与合成及表征

Design,synthesis and characterization of a novel hydrogen-bonded organic crystalline material(2-fluoroaniline)(d-malic acid)

苹果酸(D-malic acid)和2-氟苯胺(2-fluoroaniline)在乙腈溶液中常温反应得到一种新型的有机单晶材料(2-FAni^+)(D-Ma^-)(1)。通过红外光谱(IR)、热重分析(TG,DTA)、示差扫描量热分析(DSC)、粉末X-射线衍射(XRD)和变温单晶X-射线衍射对化合物1的成分及热能进行表征。在化合物1中,苹果酸分子产生明显碳原子无序,2-FAni﹢和D-Ma-通过氢键N-H…O和O-H…O及π-π相互作用形成三维网状的超分子结构。DSC测试结果显示化合物1在253 K附近产生明显的吸热峰和放热峰,表明该化合物为可逆型结构相转移材料。在200-270 K范围内,变温介电常数也出现明显阶梯状异常,与DSC结果一致。化合物1可作为新型阶梯状介电异常功能型材料。

A novel organic crystalline material（ 2-FAni^＋）（D-Ma^-）（ 1） was obtained through the chemical reaction of D-malic acid and 2-fluoroaniline at normal temperature in the acetonitrile solution.The composition and thermal properties of the compound have been characterized by IR spectra,thermogravimetric analysis,differential scanning calorimetry,powder X-ray diffraction analysis and variable temperature single-crystal X-ray diffraction. D-malic acid produced distinct disordered carbon atom phenomenons in compound 1,and a three-dimensional network structure was formed by N-H…O and O-H…O hydrogen bondings and π-π interactions of 2-FAni~＋ and D-Ma^-. The DSC measurements exhibit a clear exothermic peak on cooling and an endothermic peak on heating at around 253 K.These observed heat anomalies reveal that 1 undergoes a reversible structural phase transition.Temperature-dependent dielectric constants of 1 also show a step-like dielectric anomaly from 200 K to 270 K,corresponding with the results of DSC. This compound can be used as a new type of step-like dielectric abnormal functional materials.