Study on the (HI) m (H2O) n Clusters by Photofragment Translational Spectroscopy and Ab-Initio Calculation

Autor:	Jiangou Huang, Daoqing Xiao, Qihe Zhu, Weibin Bi, Zichao Tang, Xi-Ling Xu
Rok vydání:	2007
Předmět:	Chemistry Translational energy Photodissociation Analytical chemistry Ab initio Density functional theory Physical and Theoretical Chemistry Mass spectrometry Spectroscopy Molecular beam Relative stability
Zdroj:	Zeitschrift für Physikalische Chemie. 221:815-824
ISSN:	2196-7156 0942-9352
DOI:	10.1524/zpch.2007.221.6.815
Popis:	The photodissociation of the clusters (HI) m (H2O) n in the supersonic molecular beam has been investigated at 281.73 nm and 280.99 nm by photofragment translational spectroscopy (PTS). The translational energy distributions of the photofragment I*(2 P 1/2) show that the photodissociated species is mainly HI(H2O) n (n ≥ 4) clusters. In addition, the structures and the relative stability of (HI) m , (H2O) n and (HI) m (H2O) n (m = 1 ∼ 4, n = 1 ∼ 6) clusters have been obtained by ab initio calculation (the Density Functional Theory). The conclusion of the theoretical analysis is agreeable with the experimental results. So these results indicate that PTS combining theoretical calculation can be used as a new, indirect way to judge the composition of the clusters which are easy to be dissociated and difficult to be detected by mass spectroscopy.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::73a903498490a63acf20ef4bd27a3a8d https://doi.org/10.1524/zpch.2007.221.6.815 Zobrazit plný text záznamu