TY - JOUR
T1 - Anchoring and packing of self-assembled monolayers of
T2 - Semithio-bambusurils on Au(111)
AU - Kunturu, Pramod Patil
AU - Kap, Özlem
AU - Sotthewes, Kai
AU - Cazade, Pierre
AU - Zandvliet, Harold J.W.
AU - Thompson, Damien
AU - Reany, Ofer
AU - Huskens, Jurriaan
N1 - Publisher Copyright:
© 2020 The Royal Society of Chemistry.
PY - 2020/2
Y1 - 2020/2
N2 - Semithio-bambusurils are a unique family of anion-binding host macrocycles that form self-assembled monolayers (SAMs) on Au(111). SAMs of semithio-bambus[n]uril homologs with different cage sizes (1: N = 4; 2: N = 6) have been investigated using electrochemistry, X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and molecular dynamics (MD) simulations. Electrochemical measurements showed that electron transfer occurs via tunneling through the SAMs, and the low resistivity indicated an open layer architecture. XPS confirmed that thiocarbonyl sulfur atoms are chemisorbed to the Au(111) surface, and STM revealed the formation of ordered domains in a rectangular lattice for 1 and a highly ordered triangular/hexagonal lattice for 2. MD simulations substantiated the STM data by quantifying the balance between molecule-surface bonding, molecular conformations, and supramolecular packing that drive the formation of SAMs that maximize their surface coverage within the limits of conformational strain.
AB - Semithio-bambusurils are a unique family of anion-binding host macrocycles that form self-assembled monolayers (SAMs) on Au(111). SAMs of semithio-bambus[n]uril homologs with different cage sizes (1: N = 4; 2: N = 6) have been investigated using electrochemistry, X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and molecular dynamics (MD) simulations. Electrochemical measurements showed that electron transfer occurs via tunneling through the SAMs, and the low resistivity indicated an open layer architecture. XPS confirmed that thiocarbonyl sulfur atoms are chemisorbed to the Au(111) surface, and STM revealed the formation of ordered domains in a rectangular lattice for 1 and a highly ordered triangular/hexagonal lattice for 2. MD simulations substantiated the STM data by quantifying the balance between molecule-surface bonding, molecular conformations, and supramolecular packing that drive the formation of SAMs that maximize their surface coverage within the limits of conformational strain.
UR - http://www.scopus.com/inward/record.url?scp=85080107024&partnerID=8YFLogxK
U2 - 10.1039/c9me00149b
DO - 10.1039/c9me00149b
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AN - SCOPUS:85080107024
SN - 2058-9689
VL - 5
SP - 511
EP - 520
JO - Molecular Systems Design and Engineering
JF - Molecular Systems Design and Engineering
IS - 2
ER -