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research
A new class of self-assembled monolayers on gold using an alkynyl group as a linker
Authors
MJ Ford
JD Gale
RC Hoft
AM McDonagh
Publication date
1 December 2006
Publisher
'Institute of Electrical and Electronics Engineers (IEEE)'
Doi
Cite
Abstract
The geometry and energetics for adsorption of ethynylbenzene on Au(111) have been studied using Density Functional Theory. The alkynyl group, following removal of the terminal H atom, adsorbs covalently to the surface in the fcc hollow site with a bond energy of about 70 kcal.mol-1. Intermediate adsorption states are also possible via a hydrogen 1,2 shift to form a surface-bound vinylidene, or through the opening of the C-C triple bond without removing the hydrogen atom. © 2006 IEEE
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Last time updated on 14/09/2015