室温离子液体EMIGaCl_4和GaCl_3混合物体积性质的研究  

Studies on Mixture of Ionic Liquid EMIGaCl_4 and GaCl_3

作　　者：张子富[1] 金一[1] 许维国[1] 姜美沙[1] 王恒[1] 薛凤[1] 

机构地区：[1]辽宁大学化学科学与工程学院

出　　处：《辽宁大学学报（自然科学版）》2005年第1期14-18,共5页Journal of Liaoning University：Natural Sciences Edition

基　　金：国家自然科学基金(20041005);辽宁省自然科学基金(20022045);辽宁省教育厅科研基金

摘　　要：用GaCl3 和EMIC混合制成室温离子液体EMIGaCl4,测定了它的Raman光谱,利用基集 6—31G*的Harfree-Fock量子化学从头算估算了GaCl-4 ,Ga2Cl-7 ,GaCl3 的结构、键长、Raman频率和能量,并用密度法测定了不同温度下以室温离子液体EMIGaCl4 为溶剂GaCl3 的表观摩尔体积和热膨胀系数,讨论了离子间相互作用,指出了在GaCl3 /EMIC体系中,当GaCl3过量时,可能发生GaCl3 +GaCl-4 →Ga2Cl7-反应.Raman光谱和量子化学从头算也进一步证实了这个看法.The densities of mixture of ionic liquid compound EMIGaCl_4 and its mixtures with EMIC were measured by pycnometry in the temperature range from 308.15 K to 343.15 K. The values of apparent molar volume of the mixture of EMIC were determined. Both Raman scattering and ab initio calculations were performed. All results show that GaCl^-_4 is sole anion in ionic liquid compound EMIGaCl_4 and the reaction GaCl^-_4+GaCl_3→Ga_2Cl^-_7 may occur in the mixture composed of GaCl_3 and ionic liquid compound EMIGaCl_4.

关 键 词：室温离子液体 无水三氯化镓 密度 表观摩尔体积 从头算 RAMAN光谱 

分 类 号：O642[理学—物理化学]