Determination of hyperfine interaction matrix principal values and principal axis orientations in an orientationally disordered solid

A multifrequency electron spin echo envelope modulation study of nitrogen-15 in a copper(II)-15N-imidazole complex

Gary J. Gerfen, David J. Singel

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8 Citations (Scopus)

Abstract

A comprehensive experimental study of the magnetic field dependences of ESEEM (electron spin echo envelope modulation) for a spin one-half nucleus in an orientationally disordered solid is presented. Modulation effects from the remote (unligated) nitrogen of 15N-labeled imidazole in a Cu(II)-diethylenetriamine-15N-imidazole complex were registered at electron spin excitation frequencies in the 4.3 to 11.5 GHz range, which encompasses the "match range" of the Cu(II)-15N system under study. Field dependent trends in the ESEEM spectra - trends in spectral amplitudes, linewidths, and frequencies - are analyzed to obtain the magnitude and relative signs of the isotropic and axially symmetric hyperfine coupling constants (and to place an upper bound on the rhombic coupling). The relative utility of each of these trends for measuring hyperfine interactions in orientationally disordered solids is discussed. The orientation of the unique axis of the Cu(II)-15N hyperfine interaction matrix within the Cu(II) electron spin magnetic axis system is obtained from the field dependence of the ESEEM frequencies observed with orientationally selective excitation. The results of this study are compared to those previously obtained for relevant Cu(II)-15N systems by a variety of monofrequency ESEEM techniques.

Original languageEnglish (US)
Pages (from-to)4127-4137
Number of pages11
JournalJournal of Chemical Physics
Volume100
Issue number6
StatePublished - 1994
Externally publishedYes

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nitrogen 15
imidazoles
electron spin
Copper
echoes
Nitrogen
envelopes
Modulation
modulation
copper
Electrons
matrices
interactions
trends
Frequency modulation
Linewidth
frequency modulation
excitation
imidazole
Magnetic fields

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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title = "Determination of hyperfine interaction matrix principal values and principal axis orientations in an orientationally disordered solid: A multifrequency electron spin echo envelope modulation study of nitrogen-15 in a copper(II)-15N-imidazole complex",
abstract = "A comprehensive experimental study of the magnetic field dependences of ESEEM (electron spin echo envelope modulation) for a spin one-half nucleus in an orientationally disordered solid is presented. Modulation effects from the remote (unligated) nitrogen of 15N-labeled imidazole in a Cu(II)-diethylenetriamine-15N-imidazole complex were registered at electron spin excitation frequencies in the 4.3 to 11.5 GHz range, which encompasses the {"}match range{"} of the Cu(II)-15N system under study. Field dependent trends in the ESEEM spectra - trends in spectral amplitudes, linewidths, and frequencies - are analyzed to obtain the magnitude and relative signs of the isotropic and axially symmetric hyperfine coupling constants (and to place an upper bound on the rhombic coupling). The relative utility of each of these trends for measuring hyperfine interactions in orientationally disordered solids is discussed. The orientation of the unique axis of the Cu(II)-15N hyperfine interaction matrix within the Cu(II) electron spin magnetic axis system is obtained from the field dependence of the ESEEM frequencies observed with orientationally selective excitation. The results of this study are compared to those previously obtained for relevant Cu(II)-15N systems by a variety of monofrequency ESEEM techniques.",
author = "Gerfen, {Gary J.} and Singel, {David J.}",
year = "1994",
language = "English (US)",
volume = "100",
pages = "4127--4137",
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TY - JOUR

T1 - Determination of hyperfine interaction matrix principal values and principal axis orientations in an orientationally disordered solid

T2 - A multifrequency electron spin echo envelope modulation study of nitrogen-15 in a copper(II)-15N-imidazole complex

AU - Gerfen, Gary J.

AU - Singel, David J.

PY - 1994

Y1 - 1994

N2 - A comprehensive experimental study of the magnetic field dependences of ESEEM (electron spin echo envelope modulation) for a spin one-half nucleus in an orientationally disordered solid is presented. Modulation effects from the remote (unligated) nitrogen of 15N-labeled imidazole in a Cu(II)-diethylenetriamine-15N-imidazole complex were registered at electron spin excitation frequencies in the 4.3 to 11.5 GHz range, which encompasses the "match range" of the Cu(II)-15N system under study. Field dependent trends in the ESEEM spectra - trends in spectral amplitudes, linewidths, and frequencies - are analyzed to obtain the magnitude and relative signs of the isotropic and axially symmetric hyperfine coupling constants (and to place an upper bound on the rhombic coupling). The relative utility of each of these trends for measuring hyperfine interactions in orientationally disordered solids is discussed. The orientation of the unique axis of the Cu(II)-15N hyperfine interaction matrix within the Cu(II) electron spin magnetic axis system is obtained from the field dependence of the ESEEM frequencies observed with orientationally selective excitation. The results of this study are compared to those previously obtained for relevant Cu(II)-15N systems by a variety of monofrequency ESEEM techniques.

AB - A comprehensive experimental study of the magnetic field dependences of ESEEM (electron spin echo envelope modulation) for a spin one-half nucleus in an orientationally disordered solid is presented. Modulation effects from the remote (unligated) nitrogen of 15N-labeled imidazole in a Cu(II)-diethylenetriamine-15N-imidazole complex were registered at electron spin excitation frequencies in the 4.3 to 11.5 GHz range, which encompasses the "match range" of the Cu(II)-15N system under study. Field dependent trends in the ESEEM spectra - trends in spectral amplitudes, linewidths, and frequencies - are analyzed to obtain the magnitude and relative signs of the isotropic and axially symmetric hyperfine coupling constants (and to place an upper bound on the rhombic coupling). The relative utility of each of these trends for measuring hyperfine interactions in orientationally disordered solids is discussed. The orientation of the unique axis of the Cu(II)-15N hyperfine interaction matrix within the Cu(II) electron spin magnetic axis system is obtained from the field dependence of the ESEEM frequencies observed with orientationally selective excitation. The results of this study are compared to those previously obtained for relevant Cu(II)-15N systems by a variety of monofrequency ESEEM techniques.

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