Temperature dependence of isotopic quantum effects in water
Temperature dependence of isotopic quantum effects in water
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DOI：
10.1103/physrevlett.94.047801
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发表时间：
2005-02-04
影响因子：
8.6
通讯作者：
Egelstaff, PA
中科院分区：
文献类型：
--
作者：
Hart, RT;Benmore, CJ;Egelstaff, PA
高能X射线衍射技术已被用来测量氢的温度变化与氘同位素量子效应对水的结构。发现该效应的大小与温度成反比，在6至45 ℃的范围内变化2.5倍。此外，（H2O）-O-16与（H2O）-O-18的效果已被测量在26 degreesC和结构的差异被证明是限于最近邻分子相互作用。最近的模拟和以前测得的等容温差的结果进行比较，此外，H/D取代实验的影响被认为是。
The technique of high energy x-ray diffraction has been used to measure the temperature variation of hydrogen versus deuterium isotopic quantum effects on the structure of water. The magnitude of the effect is found to be inversely proportional to the temperature, varying by a factor of 2.5 over the range 6 to 45 degreesC. In addition, the (H2O)-O-16 versus (H2O)-O-18 effect has been measured at 26 degreesC and the structural difference shown to be restricted to the nearest neighbor molecular interactions. The results are compared to recent simulations and previously measured isochoric temperature differentials; additionally, implications for H/D substitution experiments are considered.