Dresden 2017 – scientific programme
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DS: Fachverband Dünne Schichten
DS 21: Thin Film Characterisation: Structure Analysis and Composition II
DS 21.13: Talk
Tuesday, March 21, 2017, 12:45–13:00, CHE 91
Investigation of molecular orientation in individual metal-organic nanowire by polarized Raman spectroscopy and simulation — •Yanlong Xing1, Eugen Speiser1, Dheeraj Singh2, Petra Dittrich3, and Norbert Esser1 — 1Leibniz-Institute for Analytical Sciences, ISAS Berlin, 12489 Berlin, Germany — 2Department of Chemical Physics, Jacobs University, 28759 Bremen, Germany — 3Department of Biosystems Science and Engineering, ETH Zurich, 8093 Zurich, Switzerland
To study the molecular self-organisation in metal-organic nanowires, single gold-tetrathiafulvalene (Au-TTF) nanowires were analysed using polarised Raman spectroscopy at room temperature. A first investigation was done for neutral tetrathiafulvalene (TTF) crystals. Based on the density functional theory calculation (DFT) of molecular Raman tensor and simulation of the depolarisation ratio, the orientation of TTF molecules in a single TTF crystal was revealed. The high correlation between results of the present work and that of reported single crystal data proved the efficiency of the proposed method in this work. Afterwards, both the experimental and simulation methods for TTF crystal was applied to study single Au-TTF nanowires. It was indicated that there were at least two different molecule configurations in the wire, both tilted with respected to the long axis of the wire. The 3D model of single Au-TTF wire shows a vivid image of molecular configurations in the wire. Compared to the proposed mechanism in previously reported work, this improved model can better explain the growth mechanism of Au-TTF wires with various morphologies.