TENSOR LEED ANALYSIS OF THE NI(111)-P(2X2)-CH3CN STRUCTURE

abstract

• The adsorption of acetonitrile on Ni(111) leads to an ordered (2 2) overlayer. In the first detailed surface structure determination of organic molecules containing both C and N, LEED intensity versus energy (I-V) curves for this structure have been measured and analyzed using an automated search method based on the tensor LEED approximation. The adsorbed acetonitrile is bound to the surface by both carbon and nitrogen with its C-N axis almost parallel to the metal surface. The adsorbed acetonitrile rehybridizes on the surface, becoming non-linear with a C-C-N angle estimated at 123. This structure is in accordance with models which were proposed from HREELS and XPS studies for acetonitrile adsorbed on platinum and nickel surfaces. It is also somewhat similar to the structure of nitriles in tri-iron and tri-osmium clusters. A slight adsorbate induced relaxation of the surface nickel atoms is also observed. 1994.

authors

• Batteas, James

published proceedings

• SURFACE SCIENCE

author list (cited authors)

• GARDIN, D. E., BARBIERI, A., BATTEAS, J. D., VANHOVE, M. A., & SOMORJAI, G. A.

citation count

• 19

complete list of authors

• GARDIN, DE||BARBIERI, A||BATTEAS, JD||VANHOVE, MA||SOMORJAI, GA

publication date

• March 1994

publisher

• Elsevier  Publisher

published in

• Surface Science  Journal

Digital Object Identifier (DOI)

• 10.1016/0039-6028(94)91342-0

start page

• 316

end page

• 324

volume

• 304

issue

• 3

URL

• http%3A%2F%2Fdx.doi.org%2F10.1016%2F0039-6028%2894%2991342-0