Infrared Spectroscopy and Structure of (NO)n Clusters

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• 作者：Hiromichi Hoshina ; Mikhail Slipchenko ; Kirill Prozument ; Deepak Verma ; Michael W. Schmidt ; Joseph Ivanic ; Andrey F. Vilesov
• 刊名：Journal of Physical Chemistry A
• 出版年：2016
• 出版时间：February 4, 2016
• 年：2016
• 卷：120
• 期：4
• 页码：527-534
• 全文大小：444K
• ISSN：1520-5215

文摘

Nitrogen oxide clusters (NO)_n have been studied in He droplets via infrared depletion spectroscopy and by quantum chemical calculations. The ν₁ and ν₅ bands of cis-ON-NO dimer have been observed at 1868.2 and 1786.5 cm^–1, respectively. Furthermore, spectral bands of the trimer and tetramer have been located in the vicinity of the corresponding dimer bands in accord with computed frequencies that place NO-stretch bands of dimer, trimer, and tetramer within a few wavenumbers of each other. In addition, a new line at 1878.1 cm^–1 close to the band origin of single molecules was assigned to van der Waals bound dimers of (NO)₂, which are stabilized due to the rapid cooling in He droplets. Spectra of larger clusters (n > 5), have broad unresolved features in the vicinity of the dimer bands. Experiments and calculations indicate that trimers consist of a dimer and a loosely bound third molecule, whereas the tetramer consists of two weakly bound dimers.