From owner-chemistry@ccl.net Sun Mar 15 10:30:01 2015
From: "Igors Mihailovs igors.mihailovs0]_[gmail.com" <owner-chemistry _ server.ccl.net>
To: CCL
Subject: CCL: How to calculate solvation energy
Message-Id: <-51115-150315071705-10023-u3Hc3EtKhDVj11qsMcg+DA _ server.ccl.net>
X-Original-From: Igors Mihailovs <igors.mihailovs0_._gmail.com>
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Date: Sun, 15 Mar 2015 13:16:58 +0200
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Sent to CCL by: Igors Mihailovs [igors.mihailovs0(a)gmail.com]
If I being amateur do understand correctly, the author of this
question is trying to model some complex with 7 ligands, one of which
is a solvent molecule (instead of what? or instead of nothing?). I
will not try to make any other conjectures, this is just a suggestion
for real specialists, if I really appear to guess the question's
meaning prior to them.

-- 

With best wishes,
Igors Mihailovs (engineer)
Institute of Solid State Physics
University of Latvia


2015-03-13 13:22 GMT+02:00, Víctor Luaña Cabal
victor#%#fluor.quimica.uniovi.es <owner-chemistry#,#ccl.net>:
>
> Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal
> [victor[-]fluor.quimica.uniovi.es]
> On Wed, Mar 11, 2015 at 06:42:17AM -0400, Christina MSC
> christinamsc*_*gmail.com wrote:
>>
>> Sent to CCL by: "Christina  MSC" [christinamsc[]gmail.com]
>>      I am dealing with the metal complexes having seven
>> coordination. In this complexes the seventh coordination will be the
>> solvent. I would like to know how to calculate the role of this solvent
>> coordinated in this complexes. I will also know how to calculate the
>> solvation energy of this complexes. I would be happy if anyone explains
>> briefly. Thanks in advance.
>
> Christina,
>
> 1) Sorry for not giving you better advise, but your description
>    of the problem you want to explore gives not enough information
>    to decide what you really want.
>
> 2) Rather than trying to guess, might you give some geometrical details
>    of your problem? A metal ion in the center? What kind of solvent? What
>    do you mean by the seventh coordination layer? What are the previous
>    six layers?
>
> 3) With a real knowledge of your system I am sure many experts will
>    be able to advise. I will try.
>
> Best regards,
>             Dr. Víctor Luaña
> --
>      .  .    "The hardest part in solving a problem is recognizing
>     / `' \   its existence. Learning the causes CAN be the road to
>    /(o)(o)\  the solution."
>   /`. \/ .'\          -- ¿?
>  /   '`'`   \ "Lo mediocre es peor que lo bueno, pero también es peor
>  |  \'`'`/  | que lo malo, porque la mediocridad no es un grado, es una
>  |  |'`'`|  | actitud"
>   \/`'`'`'\/          -- Jorge Wasenberg, 2015
> ===(((==)))==================================+=========================
> !            Dr.Víctor Luaña                 ! Mediocre is worse than
> ! Departamento de Química Física y Analítica ! good, but it is also
> ! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because
> ! e-mail:   victor::fluor.quimica.uniovi.es   ! mediocrity is not a grade,
> ! phone: +34-985-103491  fax: +34-985-103125 ! it is an attitude
> +--------------------------------------------+
>  GroupPage : http://azufre.quimica.uniovi.es/  (being reworked)
>
>
>