Characterization of dimeric copper(II) trichloroacetate complexes by electron spin resonance, infrared, and electronic reflectance spectra. Correlation of spectral parameters with molecular geometry

Yoneichiro Muto, Hiroshi Horie, Tadashi Tokii, Michio Nakashima, Masayuki Koikawa, Omar W. Steward, Shigeru Ohba, Hidehiro Uekusa, Steinar Husebye, Ikuo Suzuki, Michinobu Kato

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Abstract

ESR, IR, and electronic reflectance spectral data are presented for dimeric (trichloroacetato)copper(II) complexes, of which magneto-structural data are available: The larger is the distortion of the coordination geometry from square pyramidal (SP) toward trigonal bipyramidal (TBP), the longer is the Cu···Cu distance in the dimers. The elongation of the Cu···Cu distance is accompanied by a reduction of the zero-field splitting parameter (D), the anisotropic exchange parameter (D(ex)), and the peak separation of the two peaks in the electronic spectra (Δv̄(max)). The splitting of the carboxylato stretching frequencies, Δv̄ (=v̄ - v̄(sym)), increases with the distortion. Good linear correlations have been observed between the values of these parameters and the Cu···Cu distances. The axial ESR spectra with g(is parallel with) > g(is perpendicular to) and the electronic spectra suggest that the ground state of the Cu atom is essentially d(x2- y2), even in the metal geometry of the greatest distortion toward TBP (the z-axis is along the longest Cu-O bond).

Original languageEnglish
Pages (from-to)1573-1581
Number of pages9
JournalBulletin of the Chemical Society of Japan
Volume70
Issue number7
DOIs
Publication statusPublished - 1997

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Paramagnetic resonance
Copper
Infrared radiation
Geometry
Dimers
Ground state
Stretching
Elongation
Metals
Atoms

ASJC Scopus subject areas

  • Chemistry(all)

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Characterization of dimeric copper(II) trichloroacetate complexes by electron spin resonance, infrared, and electronic reflectance spectra. Correlation of spectral parameters with molecular geometry. / Muto, Yoneichiro; Horie, Hiroshi; Tokii, Tadashi; Nakashima, Michio; Koikawa, Masayuki; Steward, Omar W.; Ohba, Shigeru; Uekusa, Hidehiro; Husebye, Steinar; Suzuki, Ikuo; Kato, Michinobu.

In: Bulletin of the Chemical Society of Japan, Vol. 70, No. 7, 1997, p. 1573-1581.

Research output: Contribution to journalArticle

Muto, Yoneichiro ; Horie, Hiroshi ; Tokii, Tadashi ; Nakashima, Michio ; Koikawa, Masayuki ; Steward, Omar W. ; Ohba, Shigeru ; Uekusa, Hidehiro ; Husebye, Steinar ; Suzuki, Ikuo ; Kato, Michinobu. / Characterization of dimeric copper(II) trichloroacetate complexes by electron spin resonance, infrared, and electronic reflectance spectra. Correlation of spectral parameters with molecular geometry. In: Bulletin of the Chemical Society of Japan. 1997 ; Vol. 70, No. 7. pp. 1573-1581.
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AU - Horie, Hiroshi

AU - Tokii, Tadashi

AU - Nakashima, Michio

AU - Koikawa, Masayuki

AU - Steward, Omar W.

AU - Ohba, Shigeru

AU - Uekusa, Hidehiro

AU - Husebye, Steinar

AU - Suzuki, Ikuo

AU - Kato, Michinobu

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