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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Observations of Infrared Absorbance by the B2u and B3u Fundamentals of Rhombic Li2F2 Observations of Infrared Absorbance by the B2u and B3u Fundamentals of Rhombic Li2F2
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Observations of Infrared Absorbance by the B2u and B3u Fundamentals of Rhombic Li2F2 Observations of Infrared Absorbance by the B2u and B3u Fundamentals of Rhombic Li2F2

机译：菱形Li2F2的B2u和B3u基本原理的红外吸收率的观察菱形Li2F2的B2u和B3u基本原理的红外吸收率的观察

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摘要

Infrared absorption spectra of the Li2F2 rhombic dimer isolated in Xe, Ar, and Ar-mixed matrices suggest that rotational stereodynamics occurs for Li2F2 in its Xe trapping site. Providing evidence for this, the absorbance peak for the B3u fundamental at 617 cm-1 changes little upon annealing and heating processes, which cause the B2u peak at 534 cm-1 to lose most of its absorbance strengthsdespite their common provenience. The explanation is rooted in (a) the volume compatibility of Li2F2 and the Xe vacancy, (b) the D2h symmetry of Li2F2, (c) the state-specific generation of rotational stereodynamics by vibrational relaxation of the 534 cm-1 B2u mode, and (d) the IR transparency manifested by Li2F2 isolated in Xe crystallites providing rough alignments between the B2u transition dipole and the spectrometer IR beam. Analogous behavior appears to occur for the Xe-isolated LiF monomer.
机译：在Xe，Ar和Ar混合基质中分离的Li2F2菱形二聚体的红外吸收光谱表明，Li2F2在其Xe俘获位点发生旋转立体动力学。为此提供了证据，在退火和加热过程中，B3u基本峰在617 cm-1处的吸收峰变化不大，这导致534 cm-1处的B2u峰失去了大部分吸收强度，尽管它们具有共同的依据。解释源于（a）Li2F2的体积相容性和Xe空位，（b）Li2F2的D2h对称性，（c）通过534 cm-1 B2u模式的振动弛豫产生特定的旋转立体动力学状态， （d）Xe晶体中分离出的Li2F2所表现出的IR透明性，使B2u跃迁偶极子与光谱仪IR光束之间具有大致对准。 Xe分离的LiF单体似乎发生了类似的行为。

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