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 OC…HCl complex
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
FTIR studies of HCl dissolved in liquid CO: Anharmonic effects in the weak OC…HCl complex
چکیده انگلیسی
FTIR spectra of HCl dissolved in liquefied CO have been studied in the wide range of frequencies ∼100-7000 cm−1. Both the librational mode, fundamental, first overtone and combination bands of the OC…HCl complex were registered at the lowest ∼95 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 844–845, 12 November 2007, Pages 64-69
نویسندگان
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