A combined theoretical and experimental study of the electrochemically induced chemisorption of acrylonitrile on nickel, copper, and zinc

✍ Scribed by C. Fredriksson; R. Lazzaroni; J.L. Brédas; M. Mertens; R. Jérôme

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 543 KB
• Volume: 258
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(96)00668-9

✦ Synopsis

We report a combined theoretical and experimental study of the interaction between a series of transition metals (Ni, Cu, Zn) and acrylonitrile. We demonstrate experimentally that the transition metal has a selective role in the grafting of electropolymerized acrylonitrile. Nickel and copper substrates support the formation of a polyacrylonitrile film, while zinc does not. Quantum chemical calculations indicate that acrylonitrile molecules form zr-d bonds with Ni and Cu atoms, but do not react chemically with a Zn atom, in qualitative agreement with the experiment. Computational results also show that the electron affinity is significantly increased upon chemisorption, promoting radical anion species at the metal surface as initiators for polymerization.