How many metal atoms are needed to dehydrogenate an ethylene molecule on metal clusters?: Correlation between reactivity and electronic structures of Fen+, Con+, and Nin+.

The Journal of chemical physics

PubMedID: 17029478

Ichihashi M, Hanmura T, Kondow T. How many metal atoms are needed to dehydrogenate an ethylene molecule on metal clusters?: Correlation between reactivity and electronic structures of Fen+, Con+, and Nin+. J Chem Phys. 2006;125(13):133404.
The absolute cross section for dehydrogenation of an ethylene molecule on Mn+ [Fen+ (n = 2-28), Con+ (n = 8-29), and Nin+ (n = 3-30)] was measured as a function of the cluster size n in a gas-beam geometry at a collision energy of 0.4 eV in the center-of-mass frame in an apparatus equipped with a tandem-type mass spectrometer. It is found that (1) the dehydrogenation cross section increases rapidly above a cluster size of approximately 18 on Fen+, approximately 13 and approximately 18 on Con+, and approximately 10 on Nin+ and (2) the rapid increase of the cross section for Mn+ occurs at a cluster size where the 3d electrons start to contribute to the highest occupied levels of Mn+. These findings lead us to conclude that the 3d electrons of Mn+ play a central role in the dehydrogenation on Mn+.