铁自旋交叉化合物的密度泛函理论计算和振动光谱
Density functional theory calculations and vibrational spectroscopy on iron spin-crossover compounds
摘要：
具有合适配位场的铁配合物发生自旋交叉（SCO），这可以通过温度、压力甚至光可逆地诱导。因此，这些化合物是光学信息存储、显示设备和压力传感器的高度感兴趣的候选者。SCO现象可以通过拉曼光谱和红外光谱等光谱技术以及核非弹性散射（一种利用穆斯堡尔效应的技术）来方便地研究。本文综述了近年来在皮秒红外光谱和薄膜研究等方面的新进展，并对SCO配合物自旋跃迁现象和振动光谱数据的理论计算方法作了综述。
英文摘要：
Iron complexes with a suitable ligand field undergo spin-crossover (SCO), which can be induced reversibly by temperature, pressure or even light. Therefore, these compounds are highly interesting candidates for optical information storage, for display devices and pressure sensors. The SCO phenomenon can be conveniently studied by spectroscopic techniques like Raman and infrared spectroscopy as well as nuclear inelastic scattering, a technique which makes use of the Mössbauer effect. This review covers new developments which have evolved during the last years like, e.g. picosecond infrared spectroscopy and thin film studies but also gives an overviewon newtechniques for the theoretical calculation of spin transition phenomena and vibrational spectroscopic data of SCO complexes.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
