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.
出处
《辽宁大学学报（自然科学版）》
CAS
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
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
room temperature ionic liquid
gallium chloride
density
apparent molar volume
ab initio calculation
Raman scattering.
