Subject: (Poly)Sulfides UV-VIS spectra calculation (2)

From: Anatoly Goifman <[email-masked]>
Date: Wed, 13 Dec 2000 21:14:39 +0200

Hello ! I had obviously breakdown on my e-mail server walla.co.il from which the
following message
"Sulfides and polysulfides UV-VIS spectra calculation" from e-mail
[email-masked] was send.
I ask anyone to send the answer to this new e-mail [email-masked] Here is
the source text
once again.

<<
Hellow !
Recently I started to use CAChe Worksystem ver. 3.22. Now I work on UV-VIS
spectra producing for the following compounds class: dimethyl(poly)sulfides,
methan(poly)thiols and inorganic sulfide in aqueous medium  including for
example H2S, HS-, S=, (CH3)2S, (CH3)2S2, CH3SH etc. I have difficulty to
calibrate and fit the program for that compounds in aqueous medium. It means
that calculated spectra do not fit experimental ones at any UV-transition
calculation method for water or gas phase. Does anybody worked with the same or
similar compounds ? In such case does anybody knows how to suit existing methods
or produce new ones for this compounds class ? Does anybody know at least
another computational programs that are able to produce the same calculations ?
Are they calibrated for my class of compounds ? The secondary little problem:
what is the mesurement unit of molar extinction coefficient in UV-VIS spectra
graphs in CAChe 3.22 ? Is it the same unit that is used in this spectroscopy
field ?

With best regards,
Anatoly Goifman
The Hebrew University of Jerusalem
Phone: 972-2-6586260
Fax: 972-2-65856155
E-mail: [email-masked]