کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1235269 | 968844 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Spectroscopic and theoretical evidence for the cooperativity between red-shift hydrogen bond and blue-shift hydrogen bond in DMSO aqueous solutions
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The cooperativity between red-shifted hydrogen bond and blue-shifting hydrogen bond in dimethyl sulfoxide aqueous solutions was studied by methods of quantum chemical calculations and infrared spectroscopy. The water molecule plays a different role in two types of hydrogen bonds: proton–donor in red-shifted hydrogen bond and proton–acceptor in blue-shifting hydrogen bond. The cooperativity is not prominent if the ring structure is formed through the OH⋯OS H-bond and CH⋯Ow H-bond. However, if the methyl groups in the above ring structure participate in second CH⋯Ow H-bond, the cooperativity is increased. The second CH⋯Ow H-bond enhances OH⋯OS H-bond and weakens the first CH⋯Ow H-bond.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 69, Issue 1, January 2008, Pages 211–215
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 69, Issue 1, January 2008, Pages 211–215
نویسندگان
Qingzhong Li, Xiulin An, Baoan Gong, Jianbo Cheng,