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We present a two-dimensional collinear, adiabatic model to describe the motion of a proton in between two hydrogen molecules which adjust their elongation to trace a minimum-energy path. Together with bound states, the predissociative, vibrationally excited states involved in the electric dipole transitions are characterized. The main qualitative features of the infrared spectra of H5 + and its deuterated variant are discussed, and the effect of the temperature of the clusters is analyzed, This work has been supported by the Consolider-Ingenio 2010 Programme CSD2009-00038 (MICINN), MICINN Grant No. FIS2010-18132, and CAM Grant No. S-2009/MAT/1467. P.B. acknowledges support from the “Fundación Ramón Areces.” The aid of COST Action CM1002 (CODECS) is also appreciated

XI International Workshop on Quantum Reactive Scattering, Santa Fe, New Mexico, USA July 17-21th, 2011, A quantum study of the bound states and infrared predissociation spectra of H5+ is done using a recently proposed global and accurate potential energy surface[1]. The electric dipole for the ground electronic state is calculated at CCSD level and fitted to an analytical form. The bound states are calculated for seven degrees of degrees of freedom using an iterative Lanczos method, yielding a dissociation energy in very good agreement with the available experimental data. The predissociation states are described by a wave packet treatment, based on modified and real Chebyshev propagator, for various reduced dimensionality model. The resulting spectrum is interpreted, showing a good agreement with previous measurements.

We present a two-dimensional collinear, adiabatic model to describe the motion of a proton in between two hydrogen molecules which adjust their elongation to trace a minimum-energy path. Together with bound states, the predissociative, vibrationally excited states involved in the electric dipole transitions are characterized. The main qualitative features of the infrared spectra of H5 + and its deuterated variant are discussed, and the effect of the temperature of the clusters is analyzed. © 2011 American Physical Society., This work has been supported by the Consolider-Ingenio 2010 Programme CSD2009-00038 (MICINN), MICINN Grant No. FIS2010-18132, and CAM Grant No. S-2009/MAT/1467. P.B. acknowledges support from the “Fundacion Ram ´ on Areces.” The aid of COST Action ´ CM1002 (CODECS) is also appreciated.