Subject: Oxidisability of phenolics

From: "Hr Dr. S. Shapiro" <[email-masked]>
Date: Tue, 8 Nov 1994 09:31:05 +0100 (MET)

Dear Colleagues;

     For a study in progress I need to have quantitative data about the
"oxidisability" of various mono- and disubstituted phenolic compounds, pre-
ferably at room or physiological temperature and at ca. physiological pH
(i.e., ca. pH 7).  Can anyone recommend a compendium or source of such data?

     I found a 1982 book called "The Encyclopaedia of Chemical Electrode Po-
tentials" (authors: Antelman & Harris) listing EMF values for some monobasic
phenols.  According to this book, "The OH- reactions are considered to be at
a pH of 11, other reactions in the absence of the H ion are considered to
have a pH of 7, and those involving the H ion a pH of 11.  Those involving
both H+ and OH- can be construed to occur at a pH of 7."  Considering the
above, can anyone recommend a way of converting the values on pp. 244-245 of
this book to EMF values for pH 7 and 37oC?

     Finally, some of the phenolics in which we are interested are not listed
in "The Encyclopaedia of Chemical Electrode Potentials".  Is there a way of
theoretically calculating them?  I have at my disposal the semi-empirical QM
programme "MOPAC 6.0".

     I thank all responders in advance for generously sharing their thoughts
and ideas with me.

Yours sincerely,

(Dr.) S. Shapiro
Institut fuer orale Mikrobiologie und allgemeine Immunologie
Zentrum fuer Zahn-, Mund-, und Kieferheilkunde der Universitaet Zuerich
Plattenstrasse 11
Postfach
CH-8028 Zuerich, Switzerland

Internet: [email-masked]
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