Identification of Free OH and its Implication on Structural Changes of Liquid Water  

液体水中的自由OH及其结构改变

作　　者：林珂[1] 周晓国[1] 刘世林[1] 罗毅[1,2] 

机构地区：[1]中国科学技术大学合肥微尺度物质科学国家实验室筹,化学物理系,合肥230026 [2]瑞典皇家理工学院生物工程学院理论化学系,斯德哥尔摩S-10691

出　　处：《Chinese Journal of Chemical Physics》2013年第2期121-126,I0003,共7页化学物理学报（英文）

基　　金：This work is supported by the National Key Basic Research Special Foundation （No.2010CB923300）, the National Natural Science Foundation of China （No.20925311, No.91127042, and No.21103158）, and the GSran Gustafsson Foundation for Research in Natural Sciences and Medicine.

摘　　要：The molecular structure of liquid water has been an outstanding issue for many years. The identification of free -OH holds the key in differentiating structure models for liquid water. By analyzing the relative changes of the intensity and depolarization ratio in temperature dependent Raman spectra, the occurrence of free -OH in liquid water is unambiguously de- termined. Furthermore, upon the increase of temperature from 5 ~C to 85 ~C, the structure of liquid water undergoes significant change, but the relative proportion of free -OH is con- siderably small and remains almost unchanged. This implies that the breaking of hydrogen bond from the tetrahedral structure prefers to The energetic favoring of the structural change experiments. occur at the site of the hydrogen acceptor. for liquid water is thus clearly revealed from

关 键 词：WATER Free -OH Raman spectrum MICRO-STRUCTURE 

分 类 号：O6[理学—化学]