首页> 外文期刊>Journal of the Chemical Society, Dalton Transactions. Inorganic Chemistry >The role of moleuclar shape and axial symmetry in the solid state molecular dynamics of metal carbonyl compounds included in cyclodextrin cavities
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The role of moleuclar shape and axial symmetry in the solid state molecular dynamics of metal carbonyl compounds included in cyclodextrin cavities

机译:分子形状和轴向对称性在环糊精腔中包含的羰基金属化合物的固态分子动力学中的作用

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摘要

~(13)C CP/MAS NMR spectra of the metal carbonyl complexes Cr(CO)_6, Fe(CO)_5 and Mn_2(CO)_(10) included in #beta#- and #gamma#-cyclodextrin (CD) cavities have been studied in the temperature range 133 to 423 K. Cr(CO)_6 molecules reorient effectively isotropically within #gamma#-cyclodextrin. Fe(CO)_5 molecules in #beta#-cyclodextrin reorient effectively isotropically and show rapid axial-equatorial exchange, but Mn_2(CO)_(10) in the super-cage defined by two #gamma#-cyclodextrin molecules shows MAS sidebands at lower temperatures indicative of a more restricted motion such as molecular gyration. The important role of guest and host molecular shpae and symmetry match in the reorientational dynamics of the metal carbonyls is discussed.
机译:#beta#-和#gamma#-环糊精(CD)中包含的羰基金属金属配合物Cr(CO)_6,Fe(CO)_5和Mn_2(CO)_(10)的〜(13)C CP / MAS NMR光谱已经研究了在133至423 K温度范围内的空穴。Cr(CO)_6分子在#γ#-环糊精中有效地各向同性地取向。 #beta#-环糊精中的Fe(CO)_5分子有效地各向同性取向并显示出快速的轴-赤道交换,但由两个#γ#-环糊精分子定义的超笼中的Mn_2(CO)_(10)在以下位置显示MAS边带较低的温度指示运动受到更多限制,例如分子回旋。讨论了客体和主体分子的碎片和对称性匹配在羰基金属的重新定向动力学中的重要作用。

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