Meeting the Challenging Magnetic and Electronic Structure of Thiophene-Based Heterophenoquinones
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- 作者：Francesco Tampieri ; Letizia Colella ; Ali Maghsoumi ; Javier Martí-Rujas ; Emilio Parisini ; Matteo Tommasini ; Chiara Bertarelli ; Antonio Barbon
- 刊名：Journal of Physical Chemistry C
- 出版年：2016
- 出版时间：March 17, 2016
- 年：2016
- 卷：120
- 期：10
- 页码：5732-5740
- 全文大小：482K
- ISSN：1932-7455
文摘
Two thiophene-based heterophenoquinones, representing a family of molecules that exhibit biradicaloid character, have been studied by a combination of electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR), Raman, infrared (IR), and synchrotron or single-crystal X-ray diffraction measurements. This combined approach provided a detailed picture of the previously unknown electronic structure of the molecules in terms of two nearby states: a closed-shell diamagnetic state and a nearby biradical state, which is thermally populated.