Geometry of the CaOCH₃ radical from isotope effects in the Formula Not Shown transition

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• 作者：Crozet ; P. ; Ross ; A.J. ; Linton ; C. ; Adam ; A.G. ; Hopkins ; W.S. ; Le Roy ; R.J.
• 关键词：Laser excitation spectroscopy ; Isotope effects ; Isotopic substitution ; Symmetric top ; Laser ablation ; CaOCH₃ ; Alkaline-earth compounds
• 刊名：Journal of Molecular Spectroscopy
• 出版年：2005
• 出版时间：February, 2005
• 年：2005
• 卷：229
• 期：2
• 页码：224-230
• 全文大小：357 K

文摘

The analysis of laser excitation spectra of the Formula Not Shown origin band of the CaOCH₃ radical reported in 2002 [J. Mol. Spectrosc. 213 (2002) 28] left some geometric parameters undetermined. Working with isotopically substituted methoxy groups, with ¹²C or ¹³C and complete D/H substitution, we have recorded the origin bands and the Formula Not Shown band of the Formula Not Shown system of four isotopomers of calcium monomethoxide. The rotational constants derived from the analysis of the spectra are used in a fit to determine bond lengths and angles in the two electronic states.