Infrared photodissociation of aniline(H₂O)_n⁺ (n = 7-12) clusters

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• 作者：Md. Alauddin ; Jae Kyu Song ; Seung Min Park ; ^{smpark@khu.ac.kr}
• 关键词：Cluster compounds ; Infrared spectroscopy ; Non-proton transfer process ; Hydrogen-bonded topology
• 刊名：International Journal of Mass Spectrometry
• 出版年：2012
• 期刊代码：43_13873806
• 类别：ch
• 出版时间：15 March, 2012
• 卷：314
• 期：Complete
• 页码：49-56
• 文件大小：860 K

摘要

Infrared (IR) photodissociation spectra of aniline(H₂O)_n⁺ (n = 7-12) clusters in the region of 2800-3900 cm^鈭? have been explicitly analyzed to elucidate their structures and structural strains in hydrogen bonding networks. Due to the potential barrier between anilide radical and hydrated water clusters (n = 7-12), our experimental and theoretical results suggest that there is no proton-transferred structure in n = 7-12 cluster. The spectroscopic results, combined with DFT calculations show a clear systematic change in hydrogen-bonded topology from a multiple-ring to a cage-like topology as their size increases from n = 7 to 12.