A Near-Infrared Study of Hydrogen Bonding in Water and Deuterium Oxide1
A Near-Infrared Study of Hydrogen Bonding in Water and Deuterium Oxide1
复制标题
水和氧化氘中氢键的近红外研究1
DOI：
10.1021/j100895a011
复制
发表时间：
1965
期刊：
影响因子：
--
通讯作者：
E. Schrier
中科院分区：
文献类型：
--
作者：
Mary R. Thomas;H. Scheraga;E. Schrier
得到了液态H20、液态D20、液态冰和D20冰的光谱，其中H20在1.16 ~ 1.25µ区间，D20在1.56 ~ 1.69µ区间。利用液相光谱和固体消光系数的温度依赖性，计算了液体H20和液体D20中无键、单键和双氢键水分子的浓度随温度的变化。在不同温度下，氢键可能保持完整的比例与之前的实验和理论结果相比较。D20的计算结果与nsammethy和scheraga的计算结果一致。2
The spectra of liquid H20, liquid D20, H20 ice, and D20 ice have been obtained in the 1.16-1.25-µ region for H20 and the 1.56-1.69-µ region for D20. The temperature dependence of the liquid spectra and the extinction coefficients for the solids have been utilized to calculate the concentrations of the unbonded, singly hydrogen-bonded, and doubly hydrogen-bonded water molecules as a function of temperature for liquid H20 and for liquid D20. The fraction of possible hydrogen bonds remaining intact at various temperatures for H20 compares well with previous experimental and theoretical results. The results for D20 are consistent with the calculations of Némethy andScheraga. 2