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Titolo:
HYPERFINE LINE SHIFT IN THE EPR-SPECTRA OF RANDOMLY ORIENTED CU(II) CONTAINING SYSTEMS WITH AXIAL SYMMETRY
Autore:
BIZZARRI AR; CANNISTRARO S;
Indirizzi:
UNIV PERUGIA,DIPARTIMENTO FIS,CNR,UNITA INFM I-06100 PERUGIA ITALY UNIV TUSCIA,DIPARTIMENTO SCI AMBIENTALI,SEZ CHIM & FIS I-01100 VITERBO ITALY
Titolo Testata:
Molecular physics
fascicolo: 5, volume: 85, anno: 1995,
pagine: 913 - 929
SICI:
0026-8976(1995)85:5<913:HLSITE>2.0.ZU;2-L
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRON-PARAMAGNETIC-RES; G-STRAIN; BIOLOGICAL MOLECULES; RESONANCE-SPECTRA; FREQUENCY-SWEPT; FIELD-SWEPT; MYOGLOBIN; PROTEINS; SIMULATION; LINESHAPES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
39
Recensione:
Indirizzi per estratti:
Citazione:
A.R. Bizzarri e S. Cannistraro, "HYPERFINE LINE SHIFT IN THE EPR-SPECTRA OF RANDOMLY ORIENTED CU(II) CONTAINING SYSTEMS WITH AXIAL SYMMETRY", Molecular physics, 85(5), 1995, pp. 913-929

Abstract

We revisit the problem of unequal spacing of the hyperfine lines in the g parallel to region of the experimental EPR spectra of some type 2Cu(II) complexes displaying axial symmetry. This shift, already reproduced by our computer simulation model, cannot be justified fully in the framework of second-order perturbation theory. On this ground, we have performed an analysis, based on a computer simulation approach, ofall the possible causes that can give rise to a shift of the hyperfine lines. The results show that in randomly oriented samples the overall high field lineshift is due to a superposition of Gaussian-like hyperfine lines and the background arising from the presence of different orientations of the paramagnetic ions with respect to the magnetic field. In addition, the effect induced on the EPR spectra by a superposition of adjacent hyperfine lines is discussed in connection with the distortion of the g parallel to pattern registered in the EPR spectra ofsome type 1 Cu(II) complexes. As a final remark, our analysis shows that a computer simulation approach is required to extract reliable values for the spin Hamiltonian parameters from the experimental EPR spectra of randomly oriented paramagnetic samples.

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Documento generato il 28/11/20 alle ore 00:16:04