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Application of superhalogens in the design of organic superconductors

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Abstract

Bechgaard salts, (TMTSF)2X (TMTSF = tetramethyl tetraselenafulvalene and X = complex anion), form the most popular series of organic superconductors. In these salts, TMTSF molecules act as a super-electron donor and X as an acceptor. We computationally examined the electronic structure and properties of X in commonly used (TMTSF)2X (X = NO3, BF4, ClO4, PF6) superconductors and noticed that they belong to the class of superhalogens due to their higher vertical detachment energy than halogen anions. This prompted us to choose other superhalogens such as X = BO2, BH4, B2F7, and AuF6 and study their (TMTSF)2X complexes. Our findings suggest that these complexes behave more or less similar to those of the established (TMTSF)2X superconductors, particularly for X = BO2 and B2F7. We, therefore, believe that the concept of superhalogens can be successfully applied to the design of novel organic superconductors.

Graphical abstract: Application of superhalogens in the design of organic superconductors

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Publication details

The article was received on 03 Aug 2017, accepted on 08 Nov 2017 and first published on 09 Nov 2017


Article type: Letter
DOI: 10.1039/C7NJ02868G
Citation: New J. Chem., 2017, Advance Article
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    Application of superhalogens in the design of organic superconductors

    A. K. Srivastava, A. Kumar, S. N. Tiwari and N. Misra, New J. Chem., 2017, Advance Article , DOI: 10.1039/C7NJ02868G

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