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Closed-form ground state expression for the chemical shift tensor

✍ Scribed by J. Herzfeld

Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 221 KB
Volume: 142
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(87)80645-0

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✦ Synopsis

Steepestdescent perturbation theory is used to derive an equation for the chemical shift tensor elements that requires neither any knowledge of the excited states of the molecule nor an explicit calculation of the molecular wavefunction in the presence of the applied magnetic field. This result is compared to the ground state expression derived earlier from the average energy approximation.

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A 13C Solid-State NMR Investigation of the Alkynyl Carbon Chemical Shift Tensors for 2-Butyne-1,4-diol

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The alkynyl carbon chemical shift (CS) tensors for 2-butyne-1,4-diol are reported, based on analyses of the carbon-13 NMR spectra of stationary-powder and slow magic-angle spinning (MAS) samples for which the alkynyl carbon nuclei are enriched in 13C. NMR spectra of slow MAS samples exhibit spinning