Excitations of lithium ammonia complexes studied by inelastic x-ray scattering.
Excitations of lithium ammonia complexes studied by inelastic x-ray scattering.
复制标题
通过非弹性 X 射线散射研究锂氨络合物的激发。
作者：
C. Burns;G. Vankó;H. Sinn;A. Alatas;E. Alp;A. Said
我们对溶解在氨中的锂的激发进行了高分辨率非弹性 X 射线散射测量。入射X射线能量为21.6 keV，分辨率约为2 meV。在0-60 meV (0-500 cm(-1)) 的能量范围内观察到几种不同的激发。除了低能量的声子之外，我们还看到与 Li(NH3)4+ 配合物的振动相关的激发。我们检查了这些激发作为动量传递、锂浓度、温度和系统状态（固体与液体）的函数。将数据与 Hartree-Fock 和该配合物激发的密度泛函理论计算进行比较，这与测量的激发能非常吻合。
We have carried out high-resolution inelastic x-ray scattering measurements of the excitations of lithium dissolved in ammonia. The incident x-ray energy was 21.6 keV and the resolution was about 2 meV. Several different excitations are observed in the energy range of 0-60 meV (0-500 cm(-1)). In addition to acoustic phonons at low energies, we see excitations that are associated with vibrations of Li(NH3)4+ complexes. We examined these excitations as a function of momentum transfer, lithium concentration, temperature, and state of the system (solid versus liquid). Data are compared with Hartree-Fock and density-functional theory calculations of the excitations of this complex, which agree well with the measured excitation energies.