Molecular Weight Estimation of Molecules Incorporating Heavier Elements from van-der-Waals Corrected ECC-DOSY
Molecular Weight Estimation of Molecules Incorporating Heavier Elements from van-der-Waals Corrected ECC-DOSY
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DOI：
10.1002/slct.201701497
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发表时间：
2017-08-22
期刊：
影响因子：
2.1
通讯作者：
Stalke, Dietmar
中科院分区：
文献类型：
--
作者：
Kreyenschmidt, Anne-Kathrin;Bachmann, Sebastian;Stalke, Dietmar
有机金属化合物的聚集体形成可以通过DOSY分子量（MW）估计直接观察和解释。最近，幂律方法和外部校准曲线（ECCs）的制备推动了DOSY MW估计的适用性。然而，有效的预测分子量含有较重的元素（如卤代化合物）尚未得到充分考虑。因此，我们介绍了专门的ECC为各种卤化分子。在一个创新的尝试，我们提出了一个标准的ECC的校正因子，缩放与分子特征，大大扩展的范围内的分子，可以通过ECC-DOSY调查。
Aggregate formation of organometallic compounds can be straightforwardly observed and interpreted through DOSY molecular weight (MW) estimation. Recently, the power-law approach and preparation of external calibration curves (ECCs) has propelled the applicability of this DOSY MW estimation. However, effective prediction of MWs of molecules containing heavier elements (e.g. halogenated compounds) has not been sufficiently accounted for. Hence, we introduce specialized ECCs for various halogenated molecules. In an innovative attempt we propose a correction factor for standard ECCs that scales with molecular features to extend considerably the range of molecules that can be investigated by ECC-DOSY.