Papers from U.S. Department of Energy Science Undergraduate Laboratory Internship Program (SULI) 2010 | |
SLAC National Accelerator Laboratory | |
关键词: Fine Structure; Solvation; Halides; 99 General And Miscellaneous//Mathematics, Computing, And Information Science; Absorption; | |
DOI : 10.2172/1017207 RP-ID : SLAC-R-968 RP-ID : AC02-76SF00515 RP-ID : 1017207 |
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美国|英语 | |
来源: UNT Digital Library | |
【 摘 要 】
The solvation sphere of halides in water has been investigated using a combination of extended x-ray absorption fine structure (EXAFS) and x-ray absorption near-edge structure (XANES) analysis techniques. The results have indicated that I{sup -} and Br{sup -} both have an asymmetric, 8 water molecule primary solvation spheres. These spheres are identical, with the Br{sup -} sphere about .3 {angstrom} smaller than the I{sup -} sphere. This study utilized near-edge analysis to supplement EXAFS analysis which suffers from signal dampening/broadening due to thermal noise. This paper has reported on the solvation first sphere of I{sup -} and Br{sup -} in water. Using EXAFS and XANES analysis, strong models which describe the geometric configuration of water molecules coordinated to a central anion have been developed. The combination of these techniques has provided us with a more substantiated argument than relying solely on one or the other. An important finding of this study is that the size of the anion plays a smaller role than previously assumed in determining the number of coordinating water molecules. Further experimental and theoretical investigation is required to understand why the size of the anion plays a minor role in determining the number of water molecules bound.
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