کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9770014 | 1501938 | 2005 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Infrared spectrum and ab initio calculations of matrix isolated methanesulfonic acid species and its 1:1 water complex
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Infrared spectrum and ab initio calculations of matrix isolated methanesulfonic acid species and its 1:1 water complex Infrared spectrum and ab initio calculations of matrix isolated methanesulfonic acid species and its 1:1 water complex](/preview/png/9770014.png)
چکیده انگلیسی
Vapor species of methanesulfonic acid (MSA, CH3SO2OH) trapped in solid Ar and Ar/H2O matrices were investigated by FTIR spectroscopy. Intensity variations induced by matrix annealing and variations in water content indicate band assignments to monomeric and dimeric MSA species and to the 1:1 MSA·H2O complex. Assignments are discussed in relation to MP2 and DFT calculations of vibrational frequencies. A single structure is suggested for the monomer whereas two structures of slightly different stabilization energies are suggested for both the dimer and the 1:1 MSA·H2O complex.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 748, Issues 1â3, 30 June 2005, Pages 77-90
Journal: Journal of Molecular Structure - Volume 748, Issues 1â3, 30 June 2005, Pages 77-90
نویسندگان
A. Givan, A. Loewenschuss, C.J. Nielsen,