کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1249999 | 1496001 | 2012 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, calorimetric and vibrational investigations of 2, 3 and 4-hydroxyanilinium perchlorate: A theoretical and experimental study
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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
Complexes of perchloric acid with interesting physical properties are investigated in details. Single crystals of 2-hydroxyanilinium perchlorate (abbreviated as 2HAP-ClO4), 3-hydroxyanilinium perchlorate (abbreviated as 3HAP-ClO4), and 4-hydroxyanilinium perchlorate (abbreviated as 4HAP-ClO4) were grown by the slow evaporation technique and vibrational spectral analysis was carried out using Far-IR and Fourier transform IR spectroscopy. The density functional theoretical (DFT) computations were also performed at the B3LYP/6-311++G(d,p) level to derive the equilibrium geometry, vibrational wavenumbers and intensities. The detailed interpretation of the vibrational spectra has been carried out with the aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 58, January 2012, Pages 169-180
Journal: Vibrational Spectroscopy - Volume 58, January 2012, Pages 169-180
نویسندگان
Y. Erdogdu, M. Drozd, M.K. Marchewka,