Application of superhalogens in the design of organic superconductors12. (17th November 2017)

• Record Type: Journal Article
• Authors: Srivastava, Ambrish K.; Kumar, Abhishek; Tiwari, Sugriva N.; Misra, Neeraj
• Is Part Of: New journal of chemistry. Volume 41:Number 24(2017)
• Page Start: 14847
• Page End: 14850
• Publication Date: 2017-11-17
• Subjects: Chemistry -- Periodicals; Chimie -- Périodiques; 540
• DOI: 10.1039/c7nj02868g
• Languages: English
• ISSNs: 1144-0546

Abstract

Abstract : This study shows that the acceptors of super-electrons in organic superconductors belong to the class of superhalogens and proposes that a new series of salts, (TMTSF)2 X, can be realized where X is a superhalogen, which possess similar properties to those of the existing Bechgaard salts. Thus, the concept of superhalogens can be useful in designing potential candidates for organic superconductors. Abstract : Bechgaard salts, (TMTSF)2 X (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)2 X (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, B2 F7, and AuF6 and study their (TMTSF)2 X complexes. Our findings suggest that these complexes behave more or less similar to those of the established (TMTSF)2 X superconductors, particularly for X = BO2 and B2 F7 . We, therefore, believe that the concept of superhalogens can be successfully applied to the design of novel organic superconductors.