کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1411788 | 1501894 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
FTIR studies of HCl dissolved in liquid CO: Anharmonic effects in the weak OCâ¦HCl complex
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
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چکیده انگلیسی
FTIR spectra of HCl dissolved in liquefied CO have been studied in the wide range of frequencies â¼100-7000 cmâ1. Both the librational mode, fundamental, first overtone and combination bands of the OCâ¦HCl complex were registered at the lowest â¼95 K temperature of the liquid solution. CCD ab initio calculations utilizing the 6-311++G(3df,3pd) basis set have been performed to analyze geometry of the most stable structure and parameters of anharmonic potential energy and dipole moment functions, which define the basic spectroscopic features of the complex. The results obtained have been compared with those estimated on the base of model treatment of anharmonic interactions between HCl and CO constituents.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volumes 844â845, 12 November 2007, Pages 64-69
Journal: Journal of Molecular Structure - Volumes 844â845, 12 November 2007, Pages 64-69
نویسندگان
S.M. Melikova, K.S. Rutkowski, P. Lipkowski, D.N. Shchepkin, A. Koll,