Single particle dynamics in fluid and solid hydrogen sulphide: An inelastic neutron scattering study
Single particle dynamics in fluid and solid hydrogen sulphide: An inelastic neutron scattering study
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流体和固体硫化氢中的单粒子动力学：非弹性中子散射研究
DOI：
10.1063/1.1329139
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发表时间：
2001
影响因子：
4.4
通讯作者：
E. Pace
中科院分区：
文献类型：
--
作者：
C. Andreani;E. Degiorgi;R. Senesi;F. Cilloco;D. Colognesi;J. Mayers;M. Nardone;E. Pace
在高达 88.2 A−1 的中高动量传递下进行非弹性中子散射实验，以研究多晶和液态硫化氢 (H2S) 中单氢平均动能在 16–206 K 温度范围内的温度依赖性。通过将高动量传递数据拟合为模型响应函数，在脉冲近似内提取氢平均动能的值，该模型响应函数是从动量分布（多变量的方向平均值）获得的高斯函数。将提取的动能与振动和平移动力学的谐波模型进行比较。该模型利用了根据中间动量传递数据得出的氢投影态密度，以及根据拉曼和红外 (IR) 光谱确定的光学频率。在整个温度范围内获得了相当好的一致性，而如果正弦……则发现动能值明显较低。
Inelastic neutron scattering experiments were performed at intermediate and high momentum transfer, up to 88.2 A−1, to study the temperature dependence of single hydrogen mean kinetic energy in polycrystalline and liquid hydrogen sulphide (H2S), in the temperature range 16–206 K. Values of the hydrogen mean kinetic energy were extracted, within the impulse approximation, by fitting to the high momentum transfer data a model response function, obtained from a momentum distribution which is the orientational average of a multivariate Gaussian function. The extracted kinetic energies are compared with a harmonic model for the vibrational and roto-translational dynamics. The model makes use of the hydrogen-projected density of states worked out from intermediate momentum transfer data, as well as of optical frequencies determined from Raman and infrared (IR) spectroscopy. A fairly good agreement is obtained in the whole temperature range, while noticeably lower values for the kinetic energy are found if a sin...