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Potential Paths for the Hydrogen-Bond Relaxing with (H2O)N Cluster Size.
J. Phys. Chem. C 2015, 119, 16962-16971.
要点:
拉格朗日力学将测量的随N变化的氢键分段长度和振动频率转换成相应的力常数和结合能,即可得到势能曲线
团簇分子数目N减小短化且强化H-O键但长化和弱化O:H并伴随非键电子强极化
配位数降低(表皮,团簇,等)不仅拓展准固态温度区间(258-273K,乳胶状)而升高熔点降低冰点, 而且形成超固态。
超固态具有低密度,高弹性,超润滑,与温度弱相关等特性,共存于冰和水的表皮。
参考:
A Common Supersolid Skin Covering Both Water and Ice.
Phys. Chem. Chem. Phys. 2014, 16, 22987-22994.
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