%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