首页> 外文期刊>The Journal of Chemical Physics >Crystal field theory analysis of rovibrational spectra of carbon monoxidemonomers isolated in solid parahydrogen
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Crystal field theory analysis of rovibrational spectra of carbon monoxidemonomers isolated in solid parahydrogen

机译:固体对氢中一氧化碳单体旋转振动光谱的晶场理论分析

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摘要

We report the first rotationally resolved and completely assigned rovibrational spectrum for anonhydride molecule rotating in the solid phase: carbon monoxide (CO) monomers isolated incryogenic solid parahydrogen (p-H_2).We employ a modified crystal field theory model, in which theCO molecular spectroscopic constants are taken as adjustable parameters, to make goodspectroscopic assignments for all the observed features. We discuss the limitations of this approachand highlight the need for improved theoretical models of molecular rotation dynamics in quantumsolids.
机译:我们报告了在固相中旋转的酸酐分子的第一个旋转解析和完全分配的振动光谱:一氧化碳(CO)单体分离出致晶固体对氢(p-H_2)。我们采用了改进的晶体场理论模型,其中CO分子光谱常数用作可调参数,以便对所有观察到的特征进行良好的光谱分配。我们讨论了这种方法的局限性,并强调了改进量子固体中分子旋转动力学理论模型的必要性。

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