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Molecular Weight Estimation of Molecules Incorporating Heavier Elements from van‐der‐Waals Corrected ECC‐DOSY
Author(s) -
Kreyenschmidt AnneKathrin,
Bachmann Sebastian,
Niklas Thomas,
Stalke Dietmar
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201701497
Subject(s) - van der waals force , molecule , chemistry , calibration , range (aeronautics) , computational chemistry , aggregate (composite) , organic chemistry , materials science , nanotechnology , physics , quantum mechanics , composite material
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 MW s 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.