TY - JOUR
T1 - Self-assembly of a catechol-based macrocycle at the liquid-solid interface
T2 - Experiments and molecular dynamics simulations
AU - Saiz-Poseu, Javier
AU - Martínez-Otero, Alberto
AU - Roussel, Thomas
AU - Hui, Joseph K.H.
AU - Montero, Mavis L.
AU - Urcuyo, Roberto
AU - MacLachlan, Mark J.
AU - Faraudo, Jordi
AU - Ruiz-Molina, Daniel
PY - 2012/9/14
Y1 - 2012/9/14
N2 - This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the n-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern. This journal is
AB - This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the n-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern. This journal is
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U2 - 10.1039/c2cp41407d
DO - 10.1039/c2cp41407d
M3 - Article
C2 - 22847275
AN - SCOPUS:84865130723
VL - 14
SP - 11937
EP - 11943
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 34
ER -