Do hydroxyl radical-water clusters, OH(H2O)n, n=1-5, exist in the atmosphere?
Do hydroxyl radical-water clusters, OH(H2O)n, n=1-5, exist in the atmosphere?
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DOI：
10.1021/jp064468l
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发表时间：
2006-12-14
影响因子：
2.9
通讯作者：
Shields, George C.
中科院分区：
文献类型：
--
作者：
Allodi, Marco A.;Dunn, Meghan E.;Shields, George C.
据推测，对流层中OH（H2O）n团簇的存在可能对太阳吸收平衡和羟基自由基的反应性有显着的影响。我们已经使用G3和G3 B3模型化学模拟的结构和预测的频率的羟基自由基/水簇含有1至5个水分子。羟基自由基簇和甲烷之间的反应作为一个功能的水团簇的大小进行了检查，以了解簇的大小如何影响羟基自由基的反应性。
It has been speculated that the presence of OH (H2O) n clusters in the troposphere could have significant effects on the solar absorption balance and the reactivity of the hydroxyl radical. We have used the G3 and G3B3 model chemistries to model the structures and predict the frequencies of hydroxyl radical/water clusters containing one to five water molecules. The reaction between hydroxyl radical clusters and methane was examined as a function of water cluster size to gain an understanding of how cluster size affects the hydroxyl radical reactivity.