Superhalogen oxidizers capable of ionizing water molecules

The ability of ionizing water molecules by chosen strong oxidizing agents of superhalogen nature is demonstrated. It is shown that two selected Gutsev–Boldyrev superhalogens, BF4 and AlF4 (whose corresponding daughter anions BF 4 - and AlF 4 - are known to strongly bind an excess electron), might be employed to ionize single water molecule and small water clusters ((H2O)n, n = 2–4) which results in forming [(H2O)n]+[BF4]− and [(H2O)n]+[AlF4]− stable species (n = 1–4). The [(H2O)n]+[BF4]− and [(H2O)n]+[AlF4]− molecules are characterized by large values of binding (interaction) energy (28–73 kcal/mol) and substantial charge flow (0.5–0.8 au) between the components which confirms their ionic nature.