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The single crystal X-ray analysis data for 7 are given in the Supporting Information (File 1)
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78751531842
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The spectra of compounds 12b und 17b are nearly identical to the spectra of 12a and 17a and are not shown
-
The spectra of compounds 12b und 17b are nearly identical to the spectra of 12a and 17a and are not shown.
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28
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78751522189
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19 and 20 are displayed in the Supporting Information (File 1)
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28.19 and 20 are displayed in the Supporting Information (File 1).
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78751472295
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1 states of the substituted compounds 12a, 16, 13 and 17a
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1 states of the substituted compounds 12a, 16, 13 and 17a.
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36
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78751472793
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A drop of the respective solution (approx. 1 mg/ml) in TCB (1, 2,4-trichlorobenzene) was applied to a piece of freshly cleaved HOPG, and STM was performed at voltages between -(0.4-1.2V) and currents between 2-100 pA
-
A drop of the respective solution (approx. 1 mg/ml) in TCB (1,2,4-trichlorobenzene) was applied to a piece of freshly cleaved HOPG, and STM was performed at voltages between -(0.4-1.2V) and currents between 2-100 pA.
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37
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78751478947
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The tunneling efficiency depends on the energetic difference of the tip level and the levels of the frontier orbitals of the respective molecular segments. For theoretical descriptions of the contrast mechanism in STM see i.e. [40, 41]
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The tunneling efficiency depends on the energetic difference of the tip level and the levels of the frontier orbitals of the respective molecular segments. For theoretical descriptions of the contrast mechanism in STM see i.e. [40,41].
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38
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78751491780
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note
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All acquired STM images were in situ calibrated by (immediately and) subsequently reducing the tip bias to -50 mV, and acquiring the atomically resolved lattice of the HOPG substrate (without changing the position), using the latter as a calibration grid for the images of the adlayer. Respective data handling is done with the SPIP software package (Image Metrology, Inc.).
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39
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78751478411
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The resolution of STM is not sufficient to distinguish between cisoid and transoid conformers of the oligothiophene. However, in the molecular model we displayed the adsorbed molecule in transoid conformation in accordance with the TD-DFT calculation
-
The resolution of STM is not sufficient to distinguish between cisoid and transoid conformers of the oligothiophene. However, in the molecular model we displayed the adsorbed molecule in transoid conformation in accordance with the TD-DFT calculation.
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40
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