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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >On the determination of monomer dissociation energies of small water clusters from photoionization experiments
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On the determination of monomer dissociation energies of small water clusters from photoionization experiments

机译：从光电离实验确定小水团簇的单体离解能

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摘要

Recently, monomer dissociation energies of neutral water clusters were estimated via a thermodynamic cycle that utilized the measured appearance energies of vacuum ultraviolet (VUV) photoionized water clusters and the previously reported dissociation energies of protonated water clusters. The thermodynamic cycle incorrectly assumed that the energy difference between the (H2O)(n)(+) -> (H2O)(n-1)H+ + OH center dot asymptotes (the relaxation energy) was zero. We show that these relaxation energies are large and cannot be neglected in the analysis. Thus, the neutral water cluster monomer dissociation energies cannot be directly determined from the measured ionization potentials because they are themselves involved in the appropriate thermodynamic cycle.
机译：最近，通过热力学循环估计了中性水团簇的单体离解能，该热力学循环利用测得的真空紫外（VUV）光电离水团簇的表观能和先前报道的质子化水团簇的离解能。热力学循环错误地认为（H2O）（n）（+）->（H2O）（n-1）H + + OH中心点渐近线之间的能量差为零。我们表明，这些弛豫能很大，在分析中不能忽略。因此，中性水团簇单体的离解能不能直接由测得的电离势确定，因为它们本身参与了适当的热力学循环。

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