Intermediate range O-O correlations in supercooled water down to 235 K.
Intermediate range O-O correlations in supercooled water down to 235 K.
复制标题
低至 235 K 的过冷水中的中间范围 O-O 相关性。
DOI：
10.1063/1.5100811
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
A. Nilsson
中科院分区：
文献类型：
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作者：
H. Pathak;Alexander Späh;Kyung Hwan Kim;Ifigeneia Tsironi;Daniel Mariedahl;M. Blanco;S. Huotari;V. Honkimäki;A. Nilsson
在欧洲同步辐射设备上，利用高能x射线研究了过冷水在234.8 K下的广角x射线散射。从分子间距离r≈11 Å处的第5峰开始，计算了氧-氧对分布函数（PDF）。我们观察到PDF中的第4峰和第5峰在过冷后高度增加。我们还观察到第4峰位置（r4）在过冷时向更短的距离移动，这与之前的研究一致，但在最低温度下我们看到了更快的变化。计算了5种不同温度下的运行氧-氧配位数，发现在riso = 3.31±0.05 Å处的等吸点对应的配位数为4.39±0.15。将最冷的水与无定形冰的PDF进行比较，结果显示出明显的差异。我们提出在低密度的类液体结构中存在5元五聚体环，在r≈9 Å和r≈11 Å处产生明显的相关性。
Wide angle x-ray scattering of supercooled water down to 234.8 K was studied using high energy x rays at the European Synchrotron Radiation Facility. The oxygen-oxygen pair distribution function (PDF) was calculated from the scattering pattern out to the 5th peak at an intermolecular distance, r ≈ 11 Å. We observe that the 4th peak and the 5th peak in the PDF increase in height upon supercooling. We also observe that the 4th peak position (r4) shifts to shorter distances upon supercooling consistent with previous studies, but we see a more rapid change at the lowest temperature. The running oxygen-oxygen coordination number is calculated for 5 different temperatures, and an isosbestic point at riso = 3.31 ± 0.05 Å was found corresponding to a coordination number of 4.39 ± 0.15. The comparison of the PDF of the coldest water with that of amorphous ice shows distinct differences. We propose that there are 5-member pentamer rings in low density liquid-like structures giving rise to the sharp correlations at r ≈ 9 Å and r ≈ 11 Å.
DOI：
--
发表时间：
2018
期刊：
影响因子：
--
作者：
Rui Shi;John Russo and Hajime Tanaka
通讯作者：
John Russo and Hajime Tanaka
影响因子：
4.4
作者：
Abascal, JLF;Vega, C
通讯作者：
Vega, C