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Electron-molecular vibration coupling in (DMtTTF)Br and (o-DMTTF)2[W6O19] salts studied by vibrational spectroscopy

Abstract : A novel 1:1 salt encompassing radical cations of DMtTTF (DMtTTF = dimethyltrimethylene-tetrathiafulvalene) and the Br−anion has been synthesized. Close inspection of the salt's solid state structure revealed the presence of quasi-isolated dimers containing DMtTTF radical cations, a specific arrangement whereby the microscopic parameters of DMtTTFradical dot+ might be studied. Analysis of the corresponding single crystal IR and Raman spectra of (DMtTTF)Br allowed us to study the material's electronic and vibrational structure and to evaluate the electron-molecular coupling constants via the isolated dimer model. Additionally, using previously published IR data, analogous calculations were performed on the salt (o-DMTTF)2[W6O19] (o-DMTTF = o-3,4-dimethyltetrathiafulvalene), which also contains well isolated dimers of o-DMTTF radical cations. These calculations revealed that the coupling constants for the unsymmetrical donors studied herein are comparable to those for symmetric TTF derivatives.
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-00990352
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Submitted on : Tuesday, May 13, 2014 - 2:52:44 PM
Last modification on : Thursday, March 5, 2020 - 2:04:01 PM
Long-term archiving on: : Monday, April 10, 2017 - 10:09:11 PM

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Andrzej Łapiński, Damian Jankowski, Roman Swietlik, Eric W. Reinheimer, Marc Fourmigué. Electron-molecular vibration coupling in (DMtTTF)Br and (o-DMTTF)2[W6O19] salts studied by vibrational spectroscopy. Synthetic Metals, Elsevier, 2014, 188, pp.92-99. ⟨10.1016/j.synthmet.2013.11.004⟩. ⟨hal-00990352⟩

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