RT Journal Article
T1 Charge-Transfer-Induced Isomerization of DCNQI on Cu(100)
A1 Urban, Christian
A1 Wang, Yang
A1 Rodríguez Fernáncdez, Jonathan
A1 Herranz, M.Angeles
A1 Alcamí, Manuel
A1 Martín, Nazario
A1 Martín, Fernando
A1 Gallego, José M.
A1 Otero, Roberto
A1 Miranda, Rodolfo
AB This article reports on the temperature-controlled irreversible transition between the two isomeric forms of the strong electron acceptor dicyano-pquinonediimine (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.
PB ACS
SN 1932-7447(print), 1932-7455(Online)
YR 2014
FD 2014
LK https://hdl.handle.net/20.500.14352/35078
UL https://hdl.handle.net/20.500.14352/35078
LA eng
NO Ministerio de Ciencia e Innovación (MICINN)
NO Comunidad de Madrid
DS Docta Complutense
RD 12 abr 2025