Modeling Surface Engineering: Use of Polymetallic Iron Cages and Computer Graphics To Understand the Mode of Action of a Corrosion Inhibitor

Marcus Frey; Steven G Harris; Jeremy M Holmes; David A Nation; Simon Parsons; Peter A Tasker; Simon J Teat; Richard E P Winpenny

doi:10.1002/(SICI)1521-3773(19981217)37:23<3245::AID-ANIE3245>3.0.CO;2-F

Modeling Surface Engineering: Use of Polymetallic Iron Cages and Computer Graphics To Understand the Mode of Action of a Corrosion Inhibitor

Angew Chem Int Ed Engl. 1998 Dec 17;37(23):3245-3248. doi: 10.1002/(SICI)1521-3773(19981217)37:23<3245::AID-ANIE3245>3.0.CO;2-F.

Authors

Marcus Frey¹, Steven G Harris², Jeremy M Holmes², David A Nation², Simon Parsons², Peter A Tasker², Simon J Teat³, Richard E P Winpenny²

Affiliations

¹ Ciba Specialties, Basel (Switzerland).
² Edinburgh Centre for Surface Coordination Chemistry, Department of Chemistry, The University of Edinburgh, West Mains Road, Edinburgh, EH9 3JJ (UK), Fax: (+44) 131-650-4743.
³ CCLRC Daresbury Laboratory" Daresbury, Warrington, Cheshire, WA4 4AD (UK).

Abstract

Simple organic molecules can have many functions. The active ingredient in the corrosion inhibitor 3-(4-methylbenzoyl)propionate works because it addresses the metal sites of a surface through carboxylate groups, forms hydrogen bonds with surface hydroxide groups (see picture), and provides excellent surface coverage through efficient packing of substituted aromatic groups.

Keywords: Clusters; Corrosion; Iron; Surface chemistry.