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Fingerprints of Damped Quantum Rotation Observed in Solid-State Proton NMR Spectra

✍ Scribed by Peter Gutsche; Heike Schmitt; Ulrich Haeberlen; Tomasz Ratajczyk; Slawomir Szymanski

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
226 KB
Volume
7
Category
Article
ISSN
1439-4235

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✦ Synopsis

Abstract

^1^H NMR spectra of the methyl group in an oriented crystal sample of methylmalonic acid with all three non‐methyl protons replaced by deuterons are interpreted in terms of the damped quantum rotation (DQR) theory of NMR line shapes. The DQR approach offers a perfect theoretical reproduction of the observed spectra while the conventional Alexander‐Binsch line‐shape model shows evident defects in the present case. The temperature trends of the quantities characterizing the coherent and incoherent dynamics of the methyl group in the DQR approach (the effective tunnelling frequency and two coherence‐damping rates) derived from the spectra are fairly reproduced using a model reported previously. The present findings provide further evidence of limitations to the validity of the common belief that molecular rate processes in condensed phases are necessarily classical.

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