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Activation energies for evaporation from protonated and deprotonatedwater clusters from mass spectra

机译:质谱中质子化和去质子化水团簇蒸发的活化能

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摘要

Experimental mass abundance spectra are used to extract evaporative activation energies(dissociation energies) for protonated water clusters, (H_2O)NH~+, and deprotonated water clusters,(H_2O)NOH~-,in the size range up to hundred molecules. The inversion is achieved by application ofthe shell correction method adapted from nuclear physics to the abundance spectra. The well knownabundance anomaly for protonated clusters which occurs for N=20-22 is found to have thecharacteristic behavior of a shell closing, whereas other apparent magic numbers are only prominentpeaks in the abundance spectra because of the instability of the evaporative precursor. For thedeprotonated clusters, we find a similar shell closing for N=55-56.
机译:实验质量丰度谱用于提取质子化水团簇(H_2O)NH~+和去质子化水团簇(H_2O)NOH~-的蒸发活化能(解离能),尺寸范围可达100个分子。通过应用核物理学改编的壳层校正方法实现反演。N=20-22时发生的质子化团簇的众所周知的丰度异常被发现具有壳闭合的特征行为,而其他明显的幻数只是丰度光谱中的突出峰,因为蒸发前体的不稳定性。对于去质子化团簇,我们发现 N=55-56 时有类似的壳闭合。

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