Infrared spectroscopy of perdeuterated protonated water clusters in the vicinity of the clathrate cage.
Infrared spectroscopy of perdeuterated protonated water clusters in the vicinity of the clathrate cage.
复制标题
笼形笼附近的全氘化质子化水簇的红外光谱。
DOI：
10.1021/jp9052709
复制
发表时间：
2009
期刊：
影响因子：
--
通讯作者：
M. Duncan
中科院分区：
文献类型：
--
作者：
G. Douberly;A. Ricks;M. Duncan
我们报道了尺寸范围n = 18-24的尺寸选择的D（+）（D（2）O）（n）簇的红外预解离光谱，以与相应的H（+）（H（2）O）（n）物种的先前研究（Shin，J.- W的; Hammer，N.一、Diken，E. G.地;约翰逊，M.一、沃尔特斯河，巴西-地S.的; Jaeger，T. D.的;邓肯，M.一、克里斯蒂河一、Jordan，K. D. Science 2004，304，1137）。当n = 18-20时，观察到两个自由OD伸缩带，归属于D（2）O分子的受体-受体-供体（AAD）和受体-供体（AD）氢键排列.对于n = 21的全氘物种，仅观察到AAD带。这一行为与先前观察到的相应H（+）（H（2）O）（n）团簇的行为相同。与全H质子化物质类似，全氘代n = 22簇也不存在AD“自由”OD拉伸带，但大于n = 22的簇返回。与H（+）（H（2）O）（n）系统一样，全氘原子团簇在较低的频率范围内没有预测水合氢阳离子特征的光谱带。这些观测结果揭示了大质子化水分子团簇的有趣光谱和动力学。
We report infrared predissociation spectra of size-selected D(+)(D(2)O)(n) clusters in the size range n = 18-24 for comparison to previous studies of the corresponding H(+)(H(2)O)(n) species (Shin, J.-W.; Hammer, N. I.; Diken, E. G.; Johnson, M. A.; Walters, R. S.; Jaeger, T. D.; Duncan, M. A.; Christie, R. A.; Jordon, K. D. Science 2004, 304, 1137). For n = 18-20, two "free" OD stretch bands are observed and assigned to D(2)O molecules in acceptor-acceptor-donor (AAD) and acceptor-donor (AD) hydrogen bonding arrangements. Only the AAD band is observed for the n = 21 perdeuterated species. This behavior is identical to that observed previously for the corresponding H(+)(H(2)O)(n) clusters. Similar to the all-H protonated species, the AD "free" OD stretch band is also absent for the perdeuterated n = 22 cluster but returns for clusters larger than n = 22. Like the H(+)(H(2)O)(n) systems, the perdeuterated clusters have no spectral band in the lower frequency range where the signature of the hydronium cation is predicted. These observations shed new light on the intriguing spectroscopy and dynamics of large protonated water clusters.