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Application of the ‘Singular Value Decomposition’ Method for the Quantitative Interpretation of the NMR Spectra of Paramagnetic Compounds

✍ Scribed by Hauke Reddmann


Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
279 KB
Volume
35
Category
Article
ISSN
0749-1581

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✦ Synopsis


A possible new application for the "singular value decompositionÏ (SVD) method is described. With the help of SVD, the isotropic NMR shifts of paramagnetic metallorganic compounds of the type (where Cp = g5-Cp 3

Ln AE B cyclopentadienyl, B = neutral base and Ln = lanthanoid) were quantitatively interpreted in terms of dipolar and contact shifts. A brief review of alternative approaches to separate dipolar and contact shifts is given, and the new method based on SVD is shown to be superior on statistical grounds.


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