CCL:G: thermodynamic data for transition metal ions

Hi Dr Olawale:

The computational chemistry programs Gaussian, GAMESS, or NWCHEM are capable of calculating the data you are requesting ... whether for the cations or the various compounds the cations are contained in.

There are also several papers in the (recent = post 1995) literature which summarize some of these data.  I don't know of any good books (like CRC or TRC) for these systems.


Joseph T. Golab, PhD
Molecular Modeling & Simulation Scientist
Senior Research Associate
INEOS Technologies, Nitriles R&D
Phone: +1 (630) 420-5063
Cell:  +1 (630) 336-0063

From:        "Olasunkanmi Lukman Olawale" <owner-chemistry]_[>
Date:        07/07/2011 12:08 PM
Subject:        CCL: thermodynamic data for transition metal ions
Sent by:]_[

Hello everyone,
Can you please refer me to a source where I can get the thermodynamic data (H, S, Heat of formation etc.) for transition metal ions (e.g. Ni2+, Pt2+, Pd2+, Fe2+, Ru2+, etc.). Thank you in anticipation of your contribution.

Olasunkanmi Lukman Olawale

Current Address:
Department of Chemistry,
Obafemi Awolowo University,
Ile-Ife, Osun State.

+234-0-80-52401564 Or +234-0-80-67161091