Polarized X-ray absorption spectroscopy of cupric chloride dihydrate
- Stanford Univ., Stanford, CA (United States)
The authors report a detailed polarized single-crystal X-ray absorption spectroscopic study of CuCl{sub 2}{center_dot}2H{sub 2}O, with measurements at both the copper K-edge and the chlorine K-edge. The angular dependence of both dipole-allowed and quadrupole-allowed transitions is determined in detail for the copper K-edge. The formally dipole-forbidden, quadurople-allowed Cu K-edge 1s{r_arrow}3d transition behaves as a pure quadrupole transition, with no significant dipole contribution. The 1s{r_arrow}3d transition is found to have predominantly 3dx{sup 2}-y{sup 2} character, as expected, but evidence is also given for vacancies in a lower lying d orbital, possibly 3d{sub xz}, arising from the presence of d{pi}-d{pi} bonding with the chloride ligands. The chlorine K-edge data show a strongly polarized pre-edge resonance at {approximately}2821 eV, which can be interpreted in terms of a transition from the chlorine 1s orbital to an antibonding orbital with significant contributions from both chlorine 3p and the half-filled copper 3dx{sup 2}-y{sup 2} orbital.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 160091
- Journal Information:
- Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 12 Vol. 34; ISSN 0020-1669; ISSN INOCAJ
- Country of Publication:
- United States
- Language:
- English
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Journal Article
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Tue Jan 26 23:00:00 EST 1993
· Journal of the American Chemical Society; (United States)
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OSTI ID:6528181