Investigations on a series of novel ionic liquids containing the [closo-B12Cl12]2− dianion

Abstract

A series of novel imidazolium, ammonium, phosphonium and pyridinium based salts with the [closo-B 12

Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model

“…Together with the physically based reasons for investigating ionic systems with a reduced or scaled total charge, it is also of interest, from a purely theoretical viewpoint, to study systems with a larger charge compared to the ±1 values typical of imidazolium salts. There are examples of dicationic systems (therefore with +2 charge) where the two charges are localized on a relatively small moiety of the molecule such as the DABCO derivatives investigated by Nogami and co-workers. , Similarly, bistriflimide salts of nonsymmetric viologens are another example of dicationic systems with the two charges on the same unit exhibiting a rich polymorphism with an ordered SmX phase , and, for dimers, a SmA phase. ,, Examples can also be found concerning ionic liquids with compact dianionic counterions, such as the closo -B 12 Cl 12 dianion or zinc tetrahalide complexes . Moreover, from the thermodynamic point of view, different IL and ILC phases result from the competition between the electrostatic interactions between charged groups (cationic head groups and anions) and from the VDW interactions between nonpolar cationic tail groups at a finite temperature.…”

“…48,49 Similarly, bistriflimide salts of nonsymmetric viologens are another example of dicationic systems with the two charges on the same unit exhibiting a rich polymorphism with an ordered SmX phase 50,51 and, for dimers, a SmA phase. 8,52,53 Examples can also be found concerning ionic liquids with compact dianionic counterions, such as the closo-B 12 Cl 12 dianion 54 or zinc tetrahalide complexes. 55 Moreover, from the thermodynamic point of view, different IL and ILC phases result from the competition between the electrostatic interactions between charged groups (cationic head groups and anions) and from the VDW interactions between nonpolar cationic tail groups at a finite temperature.…”

A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

“…The behavior of room temperature ionic liquids (RTILs) near charged surfaces is attracting great interest due to potential utilization of these electrolytes in energy storage devices such as Li-batteries [1][2][3][4][5][6][7][8][9][10][11][12][13] and supercapacitors. [14][15][16][17][18][19][20][21][22][23][24][25][26][27] In particular, the small vapor pressure, [28][29][30][31][32][33] low flammability, 34 high ionic conductivity, [35][36][37][38][39][40] relatively low melting temperature, [41][42][43][44][45][46][47][48][49]…”

Electrochemical Synthesis of Triphenylphosphine Coinage Metal Complexes stabilized by closo‐Dodecaborates [B12X12]2− (X=H, F, Cl, Br, I)

“…Figure 2 shows the crystal structure of the Cu(I)‐based complex salt of [B 12 Cl 12 ] 2− . The low distance and the orientation between the dodecaborates and the phenyl‐substituents suggests hydrogen‐halogen interactions, which are commonly observed in salts featuring the perchlorinated dodecaborate [40] …”

“…The low distance and the orientation between the dodecaborates and the phenyl-substituents suggests hydrogen-halogen interactions, which are commonly observed in salts featuring the perchlorinated dodecaborate. [40] Larger numbers of triphenylphosphine ligands in the coordination sphere of the copper ion lead to distortions from the ideal tetrahedral geometry, and elongation of the average CuÀ P bond lengths from 2.2613(3) Å to 2.431(8) Å (weighted averages, where possible). In the [Cu(PPh) 2 (CH 3 CN) 2 ] + -complex, the PÀ Cu-N and NÀ Cu-N angles are significantly smaller than the PÀ Cu-P angles.…”