liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
ENDOR study of N-14 hyperfine and quadrupole couplings of N2D4 center dot+ formed in deuterated Li(N2H5)SO4 single crystal
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Chemical Physics .
2002 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, Vol. 106, no 11, 2617-2622 p.Article in journal (Refereed) Published
Abstract [en]

X-irradiated Li(N2D5)SO4 single crystals were investigated using EPR and ENDOR spectroscopy. The N-14-ENDOR spectra of the deuterated hydrazine radical cation N2D4.+ were clearly observed at 240 K. N-14 hyperfine (life) and nuclear quadrupole (nqc) tensors of the N2D4.+ cation were determined from angular variation ENDOR measurements in the three orthogonal planes of the crystal. The life tensor obtained for the two equivalent N-14 atoms is very close to that reported in a N2H5HC2O4 single crystal, and the present results support the previous conclusion that the cation has a planar structure at 240 K. The N-14 nqc tensor was estimated using semiempirical methods and also calculated from the field gradients in the LiHzS crystal as evaluated by density functional theory methods. The general agreement with experimental observations further supported the suggested geometrical structure of the N2H4.+ radical. The H-1 and N-14-ENDOR enhancements observed may be due to weakened dipolar interactions between N-14-D-2 and H-1-D-2 leading to increased T-ln relaxations of the N-14 and residual H-1 nuclei of the N2D4.+ cation (and/or other isotopomers) in the deuterated crystals as compared to those in the Li(N2H5)SO4 crystals.

Place, publisher, year, edition, pages
2002. Vol. 106, no 11, 2617-2622 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-47891DOI: 10.1021/jp0125303OAI: diva2:268787
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Lund, Anders
By organisation
The Institute of TechnologyChemical Physics
In the same journal
Journal of Physical Chemistry A
Engineering and Technology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 20 hits
ReferencesLink to record
Permanent link

Direct link