کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1404679 1501921 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Hydrogen bonding: How much anharmonicity?
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Hydrogen bonding: How much anharmonicity?
چکیده انگلیسی

In moderately strong hydrogen bonds, hydrogen bond formation increases the anharmonicity constant of the high frequency stretching vibration, significantly but not dramatically. This increase tends to increase with the strength of the hydrogen bond. The main cause of the fine structure and breadth of this band is, however, coupling with both the low frequency stretching and bending vibrations of the bridge, despite the smallness of the coupling constants. Second–order perturbation theory is sufficient to interpret the observed frequencies in the case of moderately strong hydrogen bonds. HCN⋯HF, O–H⋯:O, O–H⋯:N, and N–H⋯:N hydrogen bonds are considered.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 790, Issues 1–3, 5 June 2006, Pages 50–54
نویسندگان
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