کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1411808 | 1501894 | 2007 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Formaldoxime dimers: Infrared matrix isolation and theoretical study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
The infrared spectra of the formaldoxime dimers, trapped in argon matrices at ca. 17 K have been obtained and compared with the theoretical spectra provided by the MP2/6-311++G(2d,2p) calculations. The calculations indicated stability of three hydrogen bonded dimers. The most stable, centrosymmetric C2h dimer involves two OH⋯N bonds, the other one is stabilized by one OH⋯N bond and the less stable dimer involves one OH⋯O bond. The comparison of the theoretical spectra with the experimental ones evidences that in the matrix is formed mainly the centrosymmetric dimer; however there is some evidence that the dimer with one OH⋯N bond is also trapped in the matrix at very low concentration.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volumes 844–845, 12 November 2007, Pages 242–249
Journal: Journal of Molecular Structure - Volumes 844–845, 12 November 2007, Pages 242–249
نویسندگان
Barbara Golec, Zofia Mielke,