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 BF4- and AlF4- are known to strongly bind an excess electron), might be employed to ionize single water molecule and small water clusters ((H2O), n = 2-4) which results in forming [(H2O)(n)](+)[BE4](-) and [(H2O)(n)](+)[AlF4](-) stable species (n = 1-4). The [(H2O)(n)](+)[BE4](-) 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. (C) 2013 Elsevier B.V. All rights reserved.