卤代苯/丙酮溶液分子间的弱相互作用  

The weak intermolecular interaction in halogenated benzene/acetone solution

作　　者：胡坤[1] 李玉慧 赵洪辉 王盼归 游奥 沈鸿远 喻远琴 HU Kun;LI Yuhui;ZHAO Honghui;WANG Pangui;YOU Ao;SHEN Hongyuan;YU Yuanqin(College of Physics and Optoelectronic Engineering,Anhui University,Hefei 23060l,China)

机构地区：[1]安徽大学物理与光电工程学院,安徽合肥230601

出　　处：《安徽大学学报（自然科学版）》2023年第6期42-46,共5页Journal of Anhui University(Natural Science Edition)

基　　金：国家自然科学基金资助项目(21873002)。

摘　　要：研究卤代苯(C_(6)F_(5)X(X=F,Cl,Br,I))/丙酮(CH_(3)COCH_(3))组成的二元混合溶液分子间的弱相互作用.测量不同摩尔浓度下C_(6)F_(5)X(X=F,Cl,Br,I)/CH_(3)COCH_(3)溶液CO伸缩振动的拉曼光谱.研究结果表明:相对于纯CH_(3)COCH_(3),C_(6)F_(5)X(X=F,Cl,Br)/CH_(3)COCH_(3)二元混合溶液中CO伸缩振动频率发生蓝移,且随C_(6)F_(5)X(X=F,Cl,Br)摩尔浓度增大而增大;当X=I时,情形与X=F,Cl,Br不同,C_(6)F_(5)I/CH_(3)COCH_(3)二元混合溶液中CO伸缩振动频率随C_(6)F_(5)I摩尔浓度的增大而出现红移,且红移量随C_(6)F_(5)I摩尔浓度增大而增大.尽管理论上C_(6)F_(5)X(X=F,Cl,Br,I)/CH_(3)COCH_(3)二元混合溶液中既存在孤对电子-π(LP…π)相互作用,又存在C—X…O相互作用(F除外),但是实验溶液状态下,LP…π相互作用不能被检测出来(因为LP…π相互作用非常微弱),仅能检测出C—X…O相互作用.The weak interaction between molecules of binary mixed solutions composed of halogenated benzene(C_(6)F_(5)X(X=F,Cl,Br,I))/acetone(CH_(3)COCH_(3))was studied.The Raman spectra of CO stretching vibrations were obtained by measuring C_(6)F_(5)X(X=F,Cl,Br,I)/(CH_(3)COCH_(3))solutions at different molar concentrations.The results of research showed that the CO stretching vibration frequency of C_(6)F_(5)X(X=F,Cl,Br)/CH_(3)COCH_(3)binary mixed solution was blue shift compared with pure CH_(3)COCH_(3),and increased with the increase of C_(6)F_(5)X(X=F,Cl,Br)molar concentration.When X=I,the situation was different from X=F,Cl,Br,and the CO stretching vibration frequency in C_(6)F_(5)I/CH_(3)COCH_(3)binary mixed solution was red shift with the increase of C_(6)F_(5)I molar concentration,and the red shift amount increased with the increase of C_(6)F_(5)I molar concentration.Although theoretically C_(6)F_(5)X(X=F,Cl,Br,I)/CH_(3)COCH_(3)binary mixed solution existed lone-pair-π(LP…π)interaction and C—X…O interaction(except F).But in the experimental solution state,LP…πinteraction couldn't be detected(because LP…πinteraction was very weak),only C—X…O interaction could be detected.

关 键 词：分子间弱相互作用 卤键 卤代苯 拉曼光谱 量子化学 

分 类 号：O561.3[理学—原子与分子物理]