Johansson, Patrik published the artcileNew lithium salts on the computer: fiction or fact?, Application of 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is Electrochimica Acta (2001), 46(10-11), 1545-1552, database is CAplus.
Ab initio quantum mech. calculations were developed to be used in evaluation of new lithium salts for use in salt/polymer electrolyte systems. To validate this approach, traditional polymer electrolyte salts like LiBF4, LiClO4, Li[(CF3SO2)2N] (LiTFSI), etc. were subjected to the evaluation. The results were then used as a reference system and compared to exptl. studies using vibrational spectroscopy to elucidate the effect of the anion on the local lithium ion-oxygen coordination strength. The successes and failures of some non-conventional lithium salts were studied and explained with the method. Several salt-polymer systems were thus designed and evaluated by the method; the evaluation suggests that these systems are suitable alternatives for neat salt/polymer systems. The a priori calculated effects on different substitutions for a given basic system are illustrated.
Electrochimica Acta 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, Application of 1H-1,2,3-Triazole-4,5-dicarbonitrile.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics