Formula weight prediction by internal reference diffusion-ordered NMR spectroscopy (DOSY).

ABSTRACT: Formula weight (FW) information is important to characterize the composition, aggregation number, and solvation state of reactive intermediates and organometallic complexes. We describe an internal reference correlated DOSY method for calculating the FW of unknown species in different solvents with different concentrations. Examples for both the small molecule (DIPA) and the organometallic complex (aggregate 1) yield excellent correlations. We also found the relative diffusion rate is inversely proportional to the viscosity change of the solution, which is consistent with the theoretical Stokes-Einstein equation. The accuracy of the least-squares linear prediction r(2) and the percentage difference of FW prediction are directly related to the density change; greater accuracy was observed w

SUBMITTER: Li D 

PROVIDER: S-EPMC2888872 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature