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/content/aip/journal/jcp/134/21/10.1063/1.3598339
2011-06-01
2016-12-04

Abstract

The bond dissociation energy (D 0) of the water dimer is determined by using state-to-state vibrational predissociationmeasurements following excitation of the bound OH stretch fundamental of the donor unit of the dimer. Velocity map imaging and resonance-enhanced multiphoton ionization (REMPI) are used to determine pair-correlated product velocity and translational energy distributions. H2O fragments are detected in the ground vibrational (000) and the first excited bending (010) states by 2 + 1 REMPI via the 1B1 (000) ← 1A1 (000 and 010) transitions. The fragments’ velocity and center-of-mass translational energy distributions are determined from images of selected rovibrational levels of H2O. An accurate value for D 0 is obtained by fitting both the structure in the images and the maximum velocity of the fragments. This value, D 0 = 1105 ± 10 cm−1 (13.2 ± 0.12 kJ/mol), is in excellent agreement with the recent theoretical value of D 0 = 1103 ± 4 cm−1 (13.2 ± 0.05 kJ/mol) suggested as a benchmark by Shank et al. [J. Chem. Phys. 130, 144314 (2009)].

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