This article reports on the temperature-controlled
irreversible
transition between the two isomeric forms of the strong electron acceptor
dicyano-p-quinonediimine (DCNQI) on the Cu(100) surface.
A combination of experiment (time-resolved, variable-temperature scanning
tunneling microscopy, STM) and theory (density functional theory,
DFT) shows that the isomerization barrier is lower than in the gas
phase or solution due to the fact that charge transfer from the substrate
modifies the bond configuration of the molecule, aromatizing the quinoid
ring of DCNQI and enabling a more free rotation of the cyano groups
with respect to the molecular axis.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.