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  Jump motion of deuterons along hydrogen bonds in KDCO3 a deuteron relaxation study

Benz, S., Haeberlen, U., & Tegenfeldt, J. (1986). Jump motion of deuterons along hydrogen bonds in KDCO3 a deuteron relaxation study. Journal of Magnetic Resonance, 66(1), 125-134. doi:10.1016/0022-2364(86)90110-1.

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Benz, Sonja1, Author           
Haeberlen, Ulrich2, Author           
Tegenfeldt, J., Author
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1Max Planck Institute for Medical Research, Max Planck Society, ou_1125545              
2Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              

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 Abstract: The orientation and temperature dependences of of the deuterons in single crystals of KDCO3 were measured. The orientation dependence data are interpreted in terms of a fluctuating quadrupole coupling tensor Vfl which is compared with a model in which the jumping of the deuterons between two possible sites 1 and 2 along the hydrogen bond is considered to be the spin-relaxation determining process. From the agreement between model and experiment it is concluded that such jumps do occur in KDCO3 and dominate the deuteron relaxation rate. The prominent feature of the temperature-dependence data is a steady trend in the plot of log T1−1 vs toward steeper variation at lower temperatures. This is clear evidence that the two deuteron sites are energetically inequivalent with ΔE = 4.3 kJ/mol. The barrier between the two sites is Ea = 3.9 kJ/mol. The temperature dependence of the rate constants k1 and k2 is also inferred from the data. The combination of Vfl with the motionally averaged quadrupole coupling tensor , determined from line splittings, allowed us to calculate the quadrupole coupling tensors V1, and V2 corresponding to the two possible deuteron sites in KDCO3. The results of a similar study on tetrafluoroterephthalic acid, C6F4(COOD)2, are briefly mentioned.

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Language(s): eng - English
 Dates: 1985-07-081986-01
 Publication Status: Issued
 Pages: 10
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/0022-2364(86)90110-1
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Title: Journal of Magnetic Resonance
Source Genre: Journal
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Publ. Info: San Diego [etc.] : Academic Press
Pages: - Volume / Issue: 66 (1) Sequence Number: - Start / End Page: 125 - 134 Identifier: ISSN: 0022-2364
CoNE: https://pure.mpg.de/cone/journals/resource/954922651175_1