Molecular Weight Estimation of Molecules Incorporating Heavier Elements from van-der-Waals Corrected ECC-DOSY

摘要

abstract_textpAggregate 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./p/abstract_text