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- W1988718553 abstract "Abstract We have analyzed deuterium isotope effects on 13 C chemical shifts in a series of o ‐hydroxy Schiff bases by applying factor analysis. Two orthogonal factors were obtained that explain about 80 and 10 % of the variance of the data. The numerical values of these factors can be related to 1 H NMR chemical shifts of the proton involved in the intramolecular bonds δ (XH) (X=O or N). Such a relation allows one to identify clusters of compounds with different tautomeric forms of hydrogen bonding. Application of a similar approach to solution 13 C NMR chemical shifts produces three important factors, which have a different structure to factors describing isotope effects. This illustrates well the different nature of chemical shifts and isotope effects. The three factors explain about 54, 15, and 13 % of variance. They can be rationalized and are strongly related to the electronic properties and location of substituents." @default.
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- W1988718553 date "2005-07-25" @default.
- W1988718553 modified "2023-10-12" @default.
- W1988718553 title "Factor Analysis of Deuterium Isotope Effects on13C NMR Chemical Shifts in Schiff Bases" @default.
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- W1988718553 doi "https://doi.org/10.1002/chem.200401350" @default.
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