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Single Crystal ESR of Copper Doped KHCO3

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Single Crystal ESR of Copper Doped KHCO

3

Albert L¨otz

Department Chemie, Universit¨at M¨unchen, Butenandtstr. 5 – 13, Haus E, D-81377 M¨unchen Reprint requests to Dr. A. L.; Fax: +49 89 2180 77622; E-mail: Albert.Loetz@cup.uni-muenchen.de Z. Naturforsch. 60a, 85 – 90 (2005); received September 24, 2004

The principal components of theg- andA-tensor of63Cu2+obtained from single crystal ESR spectra of copper doped KHCO3aregzz= 2.2347(1),gyy= 2.0474(1),gxx= 2.0468(1),Azz= 20.43(2)mT,Ayy= 3.22(1)mT,Axx= 2.63(2)mT. The unique axes of both tensors are parallel and lie in the mirror plane of the point group of the crystal (2/m). The direction of this axis conforms with the expectation from the structure of the first coordination shell of the K+ions. This provides strong evidence for copper entering the K+ positions without major lattice disturbance. Several of the results presented here are at variance with those of an earlier report on the same subject.

Key words: ESR; Cu2+; Single Crystal; Potassium Bicarbonate.

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