کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1250489 | 1495997 | 2012 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Lowest-lying vibrational signatures in corticosteroids studied by terahertz time-domain and Raman spectroscopies
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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
In the present work low-frequency vibrational spectra of progesterone, 17α-hydroxyprogesterone and cortisone have been studied by terahertz time-domain (THz-TDS) and Raman spectroscopies in the temperature range of 18–300 K and in the spectral range of 10–85 cm−1. The observed spectral features were interpreted by simulation of vibrational motions of corticosteroids, which was performed using solid-state density functional theory (DFT) (by DMol3). Assuming that there is a similarity of the crystal space structure of the molecular crystals under study, we made an attempt to demonstrate the influence of intermolecular bonds on the topology of the THz absorption and Raman spectra in this spectral range.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 62, September 2012, Pages 238–247
Journal: Vibrational Spectroscopy - Volume 62, September 2012, Pages 238–247
نویسندگان
I.N. Smirnova, D.A. Sapozhnikov, A.V. Kargovsky, V.A. Volodin, O.P. Cherkasova, R. Bocquet, A.P. Shkurinov,