title: Bond selectivity in electron-induced reaction due to directed recoil on an anisotropic substrate.
abstract: Bond-selective reaction is central to heterogeneous catalysis. In heterogeneous catalysis, selectivity is found to depend on the chemical nature and morphology of the substrate. Here, however, we show a high degree of bond selectivity dependent only on adsorbate bond alignment. The system studied is the electron-induced reaction of meta-diiodobenzene physisorbed on Cu(110). Of the adsorbate's C-I bonds, C-I aligned 'Along' the copper row dissociates in 99.3% of the cases giving surface reaction, whereas C-I bond aligned 'Across' the rows dissociates in only 0.7% of the cases. A two-electronic-state molecular dynamics model attributes reaction to an initial transition to a repulsive state of an Along C-I, followed by directed recoil of C towards a Cu atom of the same row, forming C-Cu. A similar impulse on an Across C-I gives directed C that, moving across rows, does not encounter a Cu atom and hence exhibits markedly less reaction.
authors.affiliation: Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St George Street, Toronto, Ontario M5S 3H6, Canada.
authors.forename: Kelvin
authors.identifier: 0000-0001-8598-8035
authors.initials: K
authors.lastname: Anggara
authors.affiliation: Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St George Street, Toronto, Ontario M5S 3H6, Canada.
authors.forename: Kai
authors.identifier: 0000-0001-8907-4441
authors.initials: K
authors.lastname: Huang
authors.affiliation: Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St George Street, Toronto, Ontario M5S 3H6, Canada.
authors.forename: Lydie
authors.initials: L
authors.lastname: Leung
authors.affiliation: Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St George Street, Toronto, Ontario M5S 3H6, Canada.
authors.forename: Avisek
authors.initials: A
authors.lastname: Chatterjee
authors.affiliation: Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St George Street, Toronto, Ontario M5S 3H6, Canada.
authors.forename: Fang
authors.initials: F
authors.lastname: Cheng
authors.affiliation: Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St George Street, Toronto, Ontario M5S 3H6, Canada.
authors.forename: John C
authors.initials: JC
authors.lastname: Polanyi