Electron spin resonance investigation of copper(I)-9,10-phenanthrenesemiquinonate complexes

A. Rockenbauer, M. Györ, G. Speier, Z. Tyeklár

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Abstract

Electron spin resonance spectra of copper(I) complexes with the structures of [CuL2(SQ)] and [CuL(SQ)] have been investigated in different solvents, where SQ is substituted 9,10-phenanthrenesemiquinonate and L is triphenylphosphine. The well-resolved hyperfine patterns of 63Cu, 65Cu, 31P, and protons of SQ were analyzed by computer simulations. The spectral parameters of mono complexes in coordinating solvents were found intermediate between the data of mono- and bis(phosphine) complexes in noncoordinating solvents. The spin densities on the Cu and P atoms and SQ ring were found to vary oppositely, which could be expected from the electron affinity and half-wave potential of SQ. This anomaly was explained by a three-electron bonding scheme between one filled 3d orbital of copper and the delocalized π-system of SQ, which suggests opposite direction of the spin and charge transport between the metal ion and SQ.

Original languageEnglish
Pages (from-to)3293-3297
Number of pages5
JournalInorganic Chemistry
Volume26
Issue number20
Publication statusPublished - 1987

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Paramagnetic resonance
Copper
electron paramagnetic resonance
phosphine
copper
Electron affinity
electron affinity
phosphines
Metal ions
Protons
Charge transfer
metal ions
computerized simulation
anomalies
orbitals
Atoms
protons
Electrons
rings
Computer simulation

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Electron spin resonance investigation of copper(I)-9,10-phenanthrenesemiquinonate complexes. / Rockenbauer, A.; Györ, M.; Speier, G.; Tyeklár, Z.

In: Inorganic Chemistry, Vol. 26, No. 20, 1987, p. 3293-3297.

Research output: Contribution to journalArticle

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T1 - Electron spin resonance investigation of copper(I)-9,10-phenanthrenesemiquinonate complexes

AU - Rockenbauer, A.

AU - Györ, M.

AU - Speier, G.

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N2 - Electron spin resonance spectra of copper(I) complexes with the structures of [CuL2(SQ)] and [CuL(SQ)] have been investigated in different solvents, where SQ is substituted 9,10-phenanthrenesemiquinonate and L is triphenylphosphine. The well-resolved hyperfine patterns of 63Cu, 65Cu, 31P, and protons of SQ were analyzed by computer simulations. The spectral parameters of mono complexes in coordinating solvents were found intermediate between the data of mono- and bis(phosphine) complexes in noncoordinating solvents. The spin densities on the Cu and P atoms and SQ ring were found to vary oppositely, which could be expected from the electron affinity and half-wave potential of SQ. This anomaly was explained by a three-electron bonding scheme between one filled 3d orbital of copper and the delocalized π-system of SQ, which suggests opposite direction of the spin and charge transport between the metal ion and SQ.

AB - Electron spin resonance spectra of copper(I) complexes with the structures of [CuL2(SQ)] and [CuL(SQ)] have been investigated in different solvents, where SQ is substituted 9,10-phenanthrenesemiquinonate and L is triphenylphosphine. The well-resolved hyperfine patterns of 63Cu, 65Cu, 31P, and protons of SQ were analyzed by computer simulations. The spectral parameters of mono complexes in coordinating solvents were found intermediate between the data of mono- and bis(phosphine) complexes in noncoordinating solvents. The spin densities on the Cu and P atoms and SQ ring were found to vary oppositely, which could be expected from the electron affinity and half-wave potential of SQ. This anomaly was explained by a three-electron bonding scheme between one filled 3d orbital of copper and the delocalized π-system of SQ, which suggests opposite direction of the spin and charge transport between the metal ion and SQ.

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