Gas phase and solution structures of 1-methoxyallenyllithium.
Gas phase and solution structures of 1-methoxyallenyllithium.
复制标题
1-甲氧基联烯基锂的气相和溶液结构。
DOI：
10.1021/jo9008063
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
Pratt,LawrenceM
中科院分区：
文献类型：
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作者：
Dixon,DarrylD;Tius,MarcusA;Pratt,LawrenceM
结合计算和~(13)C核磁共振研究确定了1-甲氧基烯丙基锂的溶液结构。气相计算表明，该物种是以六面体形式聚集的。在四氢呋喃溶液中的核磁共振谱与计算的聚集能和化学位移符合二聚体−四聚体的平衡。
A combined computational and13C NMR study was used to determine the solution structures of 1-methoxyallenyllithium. The gas phase calculations indicated that this species is aggregated as a hexamer. The NMR spectra in THF solution, together with the calculated aggregation energies and chemical shifts, are consistent with a dimer−tetramer equilibrium.