کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1410948 | 1501838 | 2010 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, spectroscopic and conformational properties of 2-methyl-2-(1H-tetrazol-1-yl)propan-1-ol experimental and theoretical approach
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The calculated gas phase abundance of six most abundant TOH species at 333 K equals 37.24%, 14.85% and 29.27%, 7.52%, 2.80% and 2.52% and all these conformers were detected in the νOH region of the infrared spectra of TOH isolated in argon matrices. In turn, infrared spectrum performed for the TOH crystalline sample confirms the presence of cyclic dimers consisting of two TOH4 monomers linked by two O-Hâ¯N hydrogen bonds. The latter spectrum was well reproduced by the B3LYP/6-311++G(2d,2p) spectrum predicted for the TOH cyclic dimer and the bands assignment was based on the potential energy distribution matrix.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 976, Issues 1â3, 15 July 2010, Pages 431-439
Journal: Journal of Molecular Structure - Volume 976, Issues 1â3, 15 July 2010, Pages 431-439
نویسندگان
Magdalena Pagacz-Kostrzewa, Agata BiaÅoÅska, Robert Bronisz, Maria Wierzejewska,