Theoretical study of ethynylbenzene adsorption on Au(111) and implications for a new class of self-assembled monolayer

Amer Chemical Soc
Publication Type:
Journal Article
Journal Of Physical Chemistry B, 2005, 109 (43), pp. 20387 - 20392
Issue Date:
Full metadata record
Files in This Item:
Filename Description Size
Thumbnail2005000748.pdf3.08 MB
Adobe PDF
Density functional calculations of the adsorption of ethynylbenzene on the Au(I 11) surface show that, after cleavage of the C-H bond, the terminal carbon makes a strong covalent bond to the surface. The bond energy is shown to be about 70 kcal(.)mol(-1)
Please use this identifier to cite or link to this item: