%0 Journal Article %A Dranka, Maciej %A Żukowska, Grażyna Z. %A Jankowski, Piotr %A Plewa-Marczewska, Anna %A Trzeciak, Tomasz %A Zachara, Janusz %D 2017 %T Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems %U https://acs.figshare.com/articles/journal_contribution/Coordination_Abilities_of_4_5-Dicyano-2-_trifluoromethyl_imidazolate_Anion_toward_Sodium_Cation_Structural_and_Spectroscopic_Studies_of_Solid_and_Liquid_Glyme-Solvated_Electrolyte_Systems/5632594 %R 10.1021/acs.jpcc.7b09705.s001 %2 https://acs.figshare.com/ndownloader/files/9809362 %K Sodium Cation %K heterocyclic salt systems %K crown ethers %K single-crystal X-ray analysis %K Spectroscopic Studies %K Coordination Abilities %K Noticed aggregation modes %K Lewis acid strength %K lithium solvates %K sodium batteries %K sodium ion battery electrolytes %K solvate disproportionation conductivity mechanism %K Liquid Glyme-Solvated Electrolyte Systems Comprehensive %K Presented results %K heterocyclic anions %K salt concentrations %K sodium cations %K sodium salts %K coordination ability %X Comprehensive structural analysis of sodium 4,5-dicyano-2-(trifluoromethyl)­imidazolate (NaTDI) solvates with glymes (1–4), tetrahydrofuran, and crown ethers has been performed. Several structural motifs obtained from single-crystal X-ray analysis of complementary series of crystalline adducts with varying O:Na ratios were correlated with spectroscopic and thermal data to provide new information about the coordination ability of heterocyclic anions toward sodium cations. Presented results provide a basis for developing models of poly­(ethylene oxide) electrolytes and liquid systems for sodium ion battery electrolytes. We have found a wide variety of anion–cation coordination types which allow us to compare them with analogous lithium solvates in terms of Brown’s valence-matching principle and Lewis acid strength (Sa) parameters. Noticed aggregation modes of sodium salts confirm the occurrence of a solvate disproportionation conductivity mechanism at high salt concentrations which can be used for developing new heterocyclic salt systems for sodium batteries. %I ACS Publications