A study by Politecnico di Milano is the cover story of the «Journal of Physical Chemistry»

Important milestones in the field of carbon nanostructures have been achieved thanks to the innovative research carried out by the Department of Energy and the Department of Chemistry, Materials and Chemical Engineering 'Giulio Natta' at Politecnico di Milano, in collaboration with the Department of Chemistry of the University of Wroclaw (Poland). This study, entitled 'Impact of halogen termination and chain length on π-electron conjugation and vibrational properties of halogen terminated polyynes', was selected as the cover story for the prestigious «Journal of Physical Chemistry».

The work of the research team focused on analysing the optoelectronic and vibrational properties of a particular class of halogen-terminated carbon atomic wires known as polyynes. Various analysis techniques (such as UV-Vis and infra-red absorption spectroscopy, Raman spectroscopy and DFT Density Functional Theory calculations) were used in the experiments to understand how the length of the carbon wires and the type of halogen affect the electronic structure of these materials.

That which makes this research significant is the discovery that changing the length of the carbon chain is much more effective in modulating these properties than changing the halogen end group. In addition, it was found that there is a systematic difference between the vibration modes of crystalline samples and those of solutions, which provided important information on the role of intermolecular interactions in solid samples.

Impact of Halogen Termination and Chain Length on π-Electron Conjugation and Vibrational Properties of Halogen-Terminated Polyynes

Simone Melesi, Pietro Marabotti, Alberto Milani, Bartłomiej Pigulski, Nurbey Gulia, Piotr Pińkowski, Sławomir Szafert, Mirella Del Zoppo, Chiara Castiglioni and Carlo S. Casari

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