2006/10/31, ifeffit-request@millenia.cars.aps.anl.gov <ifeffit-request@millenia.cars.aps.anl.gov>:

Send Ifeffit mailing list submissions to
        ifeffit@millenia.cars.aps.anl.gov

To subscribe or unsubscribe via the World Wide Web, visit
         http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
or, via email, send a message with subject or body 'help' to
        ifeffit-request@millenia.cars.aps.anl.gov

You can reach the person managing the list at
        ifeffit-owner@millenia.cars.aps.anl.gov

When replying, please edit your Subject line so it is more specific
than "Re: Contents of Ifeffit digest..."

Today's Topics:

   1. CuCl: thanks! (Denis Testemale)

----------------------------------------------------------------------

Message: 1
Date: Tue, 31 Oct 2006 09:52:29 +1030
From: "Denis Testemale" <denis.testemale@gmail.com>
Subject: [Ifeffit] CuCl: thanks!
To: ifeffit@millenia.cars.aps.anl.gov
Message-ID:
        <4ba19e1a0610301522k7d3a1fcbyb1459cf21fc10851@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

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@gmail.com>
> Subject: [Ifeffit] CuCl(solid) spectra?
> To: ifeffit@millenia.cars.aps.anl.gov
> Message-ID:
>         < 4ba19e1a0610291709m1ae4315bx3c16d146a84fd06b@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 --------------
> An HTML attachment was scrubbed...
> URL:
> http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20061030/32d014ec/attachment-0001.html
>
> ------------------------------
>
> Message: 2
> Date: Mon, 30 Oct 2006 12:27:50 -0300
> From: "Marco A. Alsina" <malsina@ing.puc.cl>
> Subject: Re: [Ifeffit] CuCl(solid) spectra?
> To: XAFS Analysis using Ifeffit < ifeffit@millenia.cars.aps.anl.gov>,
>         denis.testemale@gmail.com
> Message-ID: <454619F6.7000606@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
> >
> >
> > ------------------------------------------------------------------------
> >
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit@millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>
> --
> 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
>
>
>
>

>
> ------------------------------
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>
> End of Ifeffit Digest, Vol 44, Issue 18
> ***************************************
>

--
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 --------------
An HTML attachment was scrubbed...
URL: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20061031/efdd0a96/attachment.html

------------------------------

_______________________________________________
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

End of Ifeffit Digest, Vol 44, Issue 19
***************************************