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Isotope effect and temperature effect in the 2H N MR spectra of partly deuterated hydrates - theoretical treatment

✍ Scribed by M. Rossi; L. Pasimeni

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
418 KB
Volume
6
Category
Article
ISSN
0009-2614

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✦ Synopsis

Recent experimental work has shown that isotope sub&iWion snd variation of temparature produce a shift in the quadrupole coupling constant of opposite sign to that which could be predicted on the basis of a previous theory (Bayer theory). T&z problem is solved by investigating, one by one, all the possible sources of vibrational effects: both the internal field and the interaction with the neighbouring molecules are studied as functions of intramolecular and intermolecular vibrations. It is shown that the experimental effect can be explained by considering the change in conjugation of the atomic orbitals involved i~i the hydrogen bond with torsional coordinates.

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