Experimental measurement and prediction of ionic liquid ionisation energies

Abstract

Ionic liquid (IL) valence electronic structure provides key descriptors for understanding and predicting IL properties. The ionisation energies of 60 ILs are measured and the most readily ionised valence state...

Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states

“…Therefore, comparisons are made between the valence NRXPS for neat IL [C 4 C 1 Im][BF 4 ], which were dominated by anion contributions (in this case, F 2p contributions) due to photoionisation cross-section effects. 69,87 These comparisons show a very good visual match at 18 eV > E B > 11 eV between the valence NRXPS for neat IL [C 4 C 1 Im][BF 4 ] and both B 1s RXPS and F 1s RXPS for [BF 4 ] À (Fig. 6d).…”

“…60,61 Furthermore, RXPS has been used at the solidadsorbate interface. [62][63][64][65][66] More recently, RXPS has been used to study liquids, both for the solvent (water, 67 ILs 68,69 ) and more commonly for solutes in water (H 2 O 2 , 67 metal complexes [70][71][72][73][74][75] such as Fe 3+ in aqueous solution 70 and Ti 3+ in aqueous solution, 71 and nanoparticles 76,77 ).…”

“…Leading on from these ndings, RXPS has been used to identify the HOVS as originating from: (a) DNA bases and not in the backbone of DNA duplexes, 57 and (b) the cation (and not the anion) for nine ILs (out of 60 ILs studied). 68,69 However, most RXPS studies have been limited to organic molecules containing p-bonding.…”

Halometallate ionic liquids: thermal properties, decomposition pathways, and life cycle considerations

“…, no oxidation/decomposition). 9,21–23 Any residual water absorbed from the air before thermal analysis was removed from the sample by in situ drying (details below).…”

“…All ionic liquids studied in this work have previously been found to be air and moisture stable from loading samples onto sample bars in air before analysing with a range of X-ray spectroscopies that show speciation is unchanged (i.e., no oxidation/decomposition). 9,[21][22][23] Any residual water absorbed from the air before thermal analysis was removed from the sample by in situ drying (details below).…”