charge determination of substituted benzoic acids
- From: dkeidel397' at \`att.net
- Subject: charge determination of substituted benzoic acids
- Date: Sat, 09 Feb 2002 06:53:08 +0000
Hello all,
I am writing to find out if anyone knows of a program
that is available (free or not) that can determine the
charge on various benzoates (some para, meta, ortho). I
have InsightII and Gaussian. I have a library of many
benzoic acids with different substituents at different
positions around the benzene ring. I want to see how
the charge on the ionized carboxylic acid will change
when different substituents are present at the ortho,
meta, and para positions. I can use my intuition, but a
program would also be very helpful. Thank you to anyone
that can help in advance. Have a great day all.
Don
--
Donald J. Keidel
University of California, Riverside
Department of Biochemistry and
Molecular Biology
Riverside, CA 92521
phone: (909) 787-5493
fax: (909) 787-4434
dkeidel397' at \`att.net