DIPOLE-BOUND ANION OF HYDROGEN-FLUORIDE DIMER - THEORETICAL AB-INITIOSTUDY

Ab initio calculations have been performed to determine the electron a ffinity of the hydrogen fluoride dimer, (HF)(2). Although, a single hy drogen fluoride molecule does not form a stable stationary state with an excess electron, the hydrogen fluoride dimer has a positive electro n affinity. in this system the excess electron is bound by the dipole field of the complex. The present theoretical calculations render the value of adiabatic electron affinity equal to 52 meV. The calculated v alue is in a good agreement with experimental result of 63 +/- 6 meV o f Bowen and coworkers. (C) 1997 Elsevier Science B.V.