[Ifeffit] CuCl(solid) spectra?

[Marco A. Alsina]

Hello Denis:

There are several references that may be useful to you. Just to name a few:

1) Applied Catalysis B: Environmental 2006 64 (1-2), pp. 42-50
2) Chemistry of Materials 2006 18 (9), pp. 2347-2356
3) J. Phys. Chem. B 2003 107 (35) pp. 9195-9202
4) Chemosphere 2005 59 (10), pp. 1497-1505

I haven't systematically analyzed  these references, neither compared at
any level against the FL database or the work of Rumpf et al. However,
on a purely quantitative basis the first (3) references seemed to agree
in the CuCl(s) XANES spectrum, with a pre-edge feature at ~8984.5 eV and
the absorption maximum occurring ~8987 eV.

The final reference shows a different signature for the XANES spectrum
of CuCl(s), where (2) features at the 8990-9000 eV region are more
intense than the previously accounted absorption maximum (~8987 eV).
This spectrum seems to be consistent with the data our group
collected for CuCl(s), so I'm attaching it for you to take a look.
However, since I have not validated that compound by other technique
(e.g. XRD) I advice you to use it with discretion.

I lack for an explanation concerning the intensity differences
of the (2) XANES spectra for CuCl(s) available in the literature, but
both spectra possess a pre-edge shoulder within the 8982-8985 eV region,
that agrees with the observed 1s->4p electronic transition
for Cu(I) phases.

Hope the references help you

Marco

on 29/10/2006 22:09 Denis Testemale wrote:
> G'day!
> 
> I'm looking for a spectrum of CuCl (solid), or a reference where I can 
> see one. I'm more interested in the XANES than the EXAFS region.  I've 
> found Rumpf et al., Journal of Solid State Chemistry, 163, 158 (2002), 
> but what puzzles me is that the spectra in the Farrel Lytle database are 
> somewhat different with a stronger whiteline. Only the spectrum at 77K 
> (from FL database) does not have this white line, but its poor 
> definition does not make me feel confident.
> Thanks in advance.
> Denis
> 
> -- 
> Denis Testemale
> School of Earth and Environmental Sciences, Adelaide University
> and
> South Australian Museum
> North Terrace
> 5000 Adelaide
> ph: +61 8 8207 7659
> 
> 
> ------------------------------------------------------------------------
> 
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-- 
Marco A. Alsina
Escuela de Ingeniería Hidráulica y Ambiental
Pontificia Universidad Católica de Chile
Vicuña Mackenna 4860,
782-0436, Macul
tel: (56 2) 354 4873











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