Stability of functionalized platform molecules on Au(111).
Torben Jasper-TönniesIgor PoltavskySandra UlrichTobias MojeAlexandre TkatchenkoRainer HergesRichard BerndtPublished in: The Journal of chemical physics (2019)
Trioxatriangulenium (TOTA) platform molecules were functionalized with methyl, ethyl, ethynyl, propynyl, and hydrogen and sublimated onto Au(111) surfaces. Low-temperature scanning tunneling microscopy data reveal that >99% of ethyl-TOTA and methyl-TOTA remain intact, whereas 60% of H-TOTA and >99% of propynyl-TOTA and ethynyl-TOTA decompose. The observed tendency toward fragmentation on Au(111) is opposite to the sequence of gas-phase stabilities of the molecules. Although Au(111) is the noblest of all metal surfaces, the binding energies of the decomposition products to Au(111) destabilize the functionalized platforms by 2 to 3.9 eV (190-370 kJ/mol) and even render some of them unstable as revealed by density functional theory calculations. Van der Waals forces are important, as they drive the adsorption of the platform molecules.
Keyphrases
- density functional theory
- sensitive detection
- quantum dots
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- high throughput
- molecular dynamics
- visible light
- high resolution
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- high speed
- dna methylation
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- single cell
- optical coherence tomography
- mass spectrometry
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- deep learning
- electronic health record
- monte carlo
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