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EPR and Spectral Studies of a Molecular and Crystal Structure of Cu (3,5-dimethylpyridine)_{3}(NO_{3})_{2}

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Hoffmann S., Goher M., Hilczer W., Goslar J., Hafez A.

Acta Physica Polonica A

1994

vol. 85

issue 3

517-530

X-band single crystal EPR, IR and UV-VIS data are used to deduce a molecular and crystal structure of a new compound with a chemical formula Cu(3,5-dimethylpyridine)_{3}(NO_{3})_{2}. EPR shows that four magnetically inequivalent molecules exist in the crystal unit cell of C_{4v} symmetry. IR spectra suggested that both monodentate and bidentate NO_{3}-groups exist in the crystal. A most probable Cu(II) complex geometry with d_{x²-y²} ground state is a square pyramid with three nitrogens from 3,5-dimethylpyridine molecules and one oxygen from monodentate nitrato group in a basal plane and an oxygen from NO_{3}-group in apical position. There exists a chemical contact between complexes as it is indicated by the exchange interaction with |J| ≤ 1 cm^{-1}. It suggests that square pyramid complexes are arranged in polymeric chains with semi-coordination of bidentate NO_{3}-group to the adjacent Cu(II) ion. An extended analysis of an exchange averaging effect between EPR lines from two and four Cu(II) sites is presented with equations relating molecular and crystal g-factors.

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1 Acta Physica Polonica A

1 1994

1 Goher M.

1 Goslar J.

1 Hafez A.

1 Hilczer W.

1 Hoffmann S.

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EPR and Spectral Studies of a Molecular and Crystal Structure of Cu (3,5-dimethylpyridine)_{3}(NO_{3})_{2}