[Ifeffit] CuCl (final thought)

Wed Nov 1 18:44:36 CST 2006

Hello again.

This is my final statement (I hope) concerning CuCl!
Marco, it seems to me that your data (as well as the data from the 4th
reference you mention, Takaoka et al., Chemosphere, 2005) is contaminated by
Cu(II). CuCl being highly sensitive to air (and to light as well), Cu(I) is
quickly oxydised. The large peak between 8990 and 9000eV in the spectrum
corresponds to the white line of Cu(II). And since this white line is larger
than Cu(I)'s one, you obtain this too small pre-edge.
Hope that can help.
Thanks again.
Cheers.
denis

2006/10/31, ifeffit-request at millenia.cars.aps.anl.gov <
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>    1. CuCl: thanks! (Denis Testemale)
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> Message: 1
> Date: Tue, 31 Oct 2006 09:52:29 +1030
> From: "Denis Testemale" <denis.testemale at gmail.com>
> Subject: [Ifeffit] CuCl: thanks!
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
>         <4ba19e1a0610301522k7d3a1fcbyb1459cf21fc10851 at mail.gmail.com>
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>
> Many thanks for the exhaustive and quick answers. There is still this
> doubt
> about the XANES shape, but at least I have some more references to deal
> with
> it.
> Cheers.
> denis
>
>
>
> >
> > When replying, please edit your Subject line so it is more specific
> > than "Re: Contents of Ifeffit digest..."
> >
> >
> > Today's Topics:
> >
> >    1. CuCl(solid) spectra? (Denis Testemale)
> >    2. Re: CuCl(solid) spectra? (Marco A. Alsina)
> >
> >
> > ----------------------------------------------------------------------
> >
> > Message: 1
> > Date: Mon, 30 Oct 2006 11:39:40 +1030
> > From: "Denis Testemale" <denis.testemale at gmail.com>
> > Subject: [Ifeffit] CuCl(solid) spectra?
> > To: ifeffit at millenia.cars.aps.anl.gov
> > Message-ID:
> >         <4ba19e1a0610291709m1ae4315bx3c16d146a84fd06b at mail.gmail.com>
> > Content-Type: text/plain; charset="iso-8859-1"
> >
> > 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
> > -------------- next part --------------
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> >
> > ------------------------------
> >
> > Message: 2
> > Date: Mon, 30 Oct 2006 12:27:50 -0300
> > From: "Marco A. Alsina" <malsina at ing.puc.cl>
> > Subject: Re: [Ifeffit] CuCl(solid) spectra?
> > To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>,
> >         denis.testemale at gmail.com
> > Message-ID: <454619F6.7000606 at ing.puc.cl>
> > Content-Type: text/plain; charset="iso-8859-1"
> >
> > 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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>
> --
> 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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-- 
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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