McOwen, Dennis W. published the artcileAnion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI, Related Products of triazoles, the publication is Journal of Physical Chemistry C (2014), 118(15), 7781-7787, database is CAplus.
Lithium 4,5-dicyano-1,2,3-triazolate (LiDCTA, 15) and lithium 2-trifluoromethyl-4,5-dicyanoimidazole (LiTDI, 16) are two salts proposed for lithium battery electrolyte applications, but little is known about the manner in which the DCTA– and TDI– anions coordinate Li+ cations. To explore this in depth, crystal structures are reported here for two solvates with LiDCTA-(G2)1:LiDCTA (3) and (G1)1:LiDCTA (2) with diglyme and monoglyme, resp.; and seven solvates with LiTDI-(G1)2:LiTDI (5), (G2)2:LiTDI (6), (G3)1:LiTDI (7), (THF)1:LiTDI (9), (EC)1:LiTDI (10), (PC)1:LiTDI (11), and (DMC)1/2:LiTDI (12) with monoglyme, diglyme, triglyme, THF, ethylene carbonate, propylene carbonate, and di-Me carbonate, resp. These latter solvate structures are compared with the previously reported acetonitrile (AN)2:LiTDI structure. The solvates indicate that the LiTDI salt is much less associated than the LiDCTA salt and that the ions in LiTDI, when aggregated in solvates, have a very similar TDI–···Li+ cation mode of coordination through both the anion ring and cyano nitrogen atoms. Such coordination facilitates the formation of polymeric ion aggregates, instead of dimers. Insight into such ion speciation is instrumental for understanding the electrolyte properties of aprotic solvent mixtures with these salts.
Journal of Physical Chemistry C published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C4HN5, Related Products of triazoles.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics