کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1404673 | 1501921 | 2006 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The ν(AH) band formation in H-bonded complexes RAHâ¯B in the gas and liquid phases. Theory and experiment
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The mechanisms involved in the ν(AH) band formation in the H-bonded complexes RAHâ¯B and the approximations used to reconstruct the experimental band shapes are discussed. It is emphasized that the high-precision studies of H-bonded systems in the gas phase are important in determining the geometrical and electro-optical parameters of the complexes necessary, in particular, for calculating their properties in condensed phases. The gas phase studies of ν(AH) band profiles at room temperature allow one to derive the characteristics of low frequency modes. Analysis of the shape of strong ν(AH) stretching bands is promising in this respect. Consideration of the H-bonded systems whose spectra are structured, e.g. complexes of HF with HCN and H2O, can provide a larger amount of information. It is shown that for the H2Oâ¯HF complex not only the electro-optical parameters, but also the assignment of spectral features can be reliably obtained only from nonempirical calculations, which are quite feasible at present. The studies of H-bonded systems in mixtures with rare gases performed at densities varying from a dilute gas to liquid are especially promising for understanding the mechanisms of band shape formation in different states of aggregation. It is shown that the theory of spectral exchange between the rovibrational bands describes essential features of the evolution of the ν(AH) bands upon increasing the density.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 790, Issues 1â3, 5 June 2006, Pages 2-10
Journal: Journal of Molecular Structure - Volume 790, Issues 1â3, 5 June 2006, Pages 2-10
نویسندگان
V.P. Bulychev, K.G. Tokhadze,