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Structure of N2H4.+...
Structure of N2H4.+ formed in X-irradiated Li(N2H5)SO4 single crystals
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Itagaki, Y. (författare)
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Kadam, R.M. (författare)
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- Lund, Anders (författare)
- Linköpings universitet,Tekniska högskolan,Kemisk Fysik
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- Sagstuen, E. (författare)
- Department of Physics, University of Oslo, N-0316 Oslo, Norway
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- Goslar, J. (författare)
- Institute of Molecular Physics, Polish Academy of Sciences, PL 60-179, Poznan, Poland
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(creator_code:org_t)
- Royal Society of Chemistry (RSC), 2000
- 2000
- Engelska.
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 2:1, s. 37-42
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- X-irradiated Li(N2H5)SO4 single crystals were investigated using ESR and ENDOR spectroscopy at several temperatures. The hydrazine radical cation N2H4.+ was selectively produced by irradiation at room temperature. From the analysis of the orientation dependent ENDOR spectra, the 1H-hfc tensors of the cation radical were precisely obtained and the radical structure was supported by theoretical calculations. It is suggested that the cation radical has a planar p* structure D(2h) (2B(2g)) in the crystal down to 230 K. By using the evaluated 1H-hf tensor the powder ESR line shape was successfully simulated. Concomitant with the radical formation, the N-N bond of N2H4.+ is suggested to reorient so as to optimize hydrogen bond interactions. 1H-ENDOR line splitting for the N2H4.+ radical was observed at temperatures below 230 K. Apparently this splitting is due to a reversible structural change where one of the NH2 moleties in N2H4.+ becomes slightly bent out of the molecular plane, whereas the other one remains planar. This deformation evidently arises from interactions between the cation radical, adjacent H2N-NH3+ molecules and the SO4-LiO4 framework. Interacting N2H5+···N2H4.+···N2H5+ molecules along the c-axis are proposed to explain the deformation mechanism.
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