ArticleProceedings of the National Academy of Sciences of the United States of America2016
Unraveling the dynamics and structure of functionalized self-assembled monolayers on gold using 2D IR spectroscopy and MD simulations.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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10 citing papers in PubMed.
- Evaluating the Structural Response of Amphiphilic Monolayers to Environmental Stimuli.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Pinene-Based Chiral Bipyridine Ligands Drive Potent Antibacterial Activity in Rhenium(I) Complexes.Molecules (Basel, Switzerland) · 2025Article
- Nanocavities for Molecular Optomechanics: Their Fundamental Description and Applications.ACS photonics · 2024Review
- Enhancing Surface Modification and Carrier Extraction in Inverted Perovskite Solar Cells via Self-Assembled Monolayers.Nanomaterials (Basel, Switzerland) · 2024Article
- Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Antimicrobial Activity of Rhenium Di- and Tricarbonyl Diimine Complexes: Insights on Membrane-BoundPharmaceuticals (Basel, Switzerland) · 2022Article
- A Proposed Method to Obtain Surface Specificity with Pump-Probe and 2D Spectroscopies.The journal of physical chemistry. A · 2020Article
- Watching Proteins Wiggle: Mapping Structures with Two-Dimensional Infrared Spectroscopy.Chemical reviews · 2017Review
- Molecule-specific interactions of diatomic adsorbates at metal-liquid interfaces.Structural dynamics (Melville, N.Y.) · 2017Article
- Two-dimensional infrared spectroscopy measures the structural dynamics of a self-assembled film only one molecule thick.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
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Abstract
Functionalized self-assembled monolayers (SAMs) are the focus of ongoing investigations because they can be chemically tuned to control their structure and dynamics for a wide variety of applications, including electrochemistry, catalysis, and as models of biological interfaces. Here we combine reflection 2D infrared vibrational echo spectroscopy (R-2D IR) and molecular dynamics simulations to determine the relationship between the structures of functionalized alkanethiol SAMs on gold surfaces and their underlying molecular motions on timescales of tens to hundreds of picoseconds. We find that at higher head group density, the monolayers have more disorder in the alkyl chain packing and faster dynamics. The dynamics of alkanethiol SAMs on gold are much slower than the dynamics of alkylsiloxane SAMs on silica. Using the simulations, we assess how the different molecular motions of the alkyl chain monolayers give rise to the dynamics observed in the experiments.
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