کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416240 | 1393807 | 2006 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Rotationally resolved spectrum of the AË(060)-XË(000) band of HCBr
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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![عکس صفحه اول مقاله: Rotationally resolved spectrum of the AË(060)-XË(000) band of HCBr Rotationally resolved spectrum of the AË(060)-XË(000) band of HCBr](/preview/png/5416240.png)
چکیده انگلیسی
The rotationally resolved spectrum of the (0Â 6Â 0)0-(0Â 0Â 0) band in the AË1Aâ³-XË1Aâ² system of HCBr has been recorded in absorption using a frequency-modulated c.w. tunable dye laser. Both 79Br and 81Br isotopomer spectra were rotationally assigned and effective rotational constants determined. The spectrum contains both perpendicular and parallel rotational sub-band structures. The latter are partially due to axis-switching in the transition and Coriolis coupling in the excited state, but are relatively more intense and show a different J-dependence to that expected on the basis of these mechanisms. Intensity borrowing from a predicted but unobserved shorter wavelength BË-XË transition explains the observations. We have calculated the energy and structure of HCBr in the BË state at the MRCI/cc-pVTZ level and find Te(BË-XË)=20908cm-1. The BË-XË band system should be experimentally observable.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 1, January 2006, Pages 125-131
Journal: Journal of Molecular Spectroscopy - Volume 235, Issue 1, January 2006, Pages 125-131
نویسندگان
Gregory E. Hall, Trevor J. Sears, Hua-Gen Yu,