Department of Chemistry, University of California, Davis, California 95616, United States.
Inorg Chem. 2013 Jun 17;52(12):6767-9. doi: 10.1021/ic400353j. Epub 2013 May 13.
The tetraethylammonium salt of the transition-metal complex FeCl4(-) has been examined using inelastic X-ray scattering (IXS) with 1.5 meV resolution (12 cm(-1)) at 21.747 keV. This sample serves as a feasibility test for more elaborate transition-metal complexes. The IXS spectra were compared with previously recorded IR, Raman, and nuclear resonant vibrational spectroscopy (NRVS) spectra, revealing the same normal modes but with less strict selection rules. Calculations with a previously derived Urey-Bradley force field were used to simulate the expected Q and orientation dependence of the IXS intensities. The relative merits of IXS, compared to other photon-based vibrational spectroscopies such as NRVS, Raman, and IR, are discussed.
采用分辨率为 1.5 毫电子伏特（12 厘米-1）、能量为 21.747 千电子伏特的非弹性 X 射线散射（IXS）技术，对过渡金属配合物 FeCl4(-) 的四乙铵盐进行了研究。该样品是对更复杂的过渡金属配合物进行可行性测试的一种手段。IXS 光谱与先前记录的红外、拉曼和核共振振动光谱（NRVS）进行了比较，结果表明，它们具有相同的正则模式，但选择规则不那么严格。先前推导出的 Urey-Bradley 力场的计算结果用于模拟预期的 Q 值和 IXS 强度的取向依赖性。讨论了 IXS 与其他基于光子的振动光谱（如 NRVS、拉曼和红外）相比的相对优势。
