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 p
Isotope effect in the 2H - NMR-spectra of partly deuterated hydrates
✍ Scribed by B. Pedersen; K. Håland
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- English
- Weight
- 344 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The quadrupole coupling constant. K, for the deutercn in the DHO-molecule is found to be about 1(X, larger than Kin the D20-molecule in partly deuteratell pJtasaium oxalate monohydrxe. It increases slightly with the temperature, anr' this increase ia exp:ained qualitatively as being rke to the stretching of the hydrogen bond.
📜 SIMILAR VOLUMES
Theoretical IR frequencies and intensities, and Raman scattering activities of hydrogenated, mono-and di-deuterated cyclopropenylidene C3H 2 are reported at increasing levels of theory (RHF, MP2, MP4) using a polarized triple split valence basis set plus diffuse functions (6-311 + + G(d, p)). This s