کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1409505 | 1501824 | 2011 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
IR spectroscopic and DFT investigations on molecular conformations of thio-free oxo technetium (V) benzamidoxime complexes
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
Synthesized 99m/99gTc complex with benzohydroxamamide (BHam), 99m/99gTc/BHam2 characterized with HPLC equipped with UV–Vis and ESI–MS, and FTIR spectroscopic measurements were carried out. The structures of BHam conformers its complexes with Tc(V) (Tc/BHam2) computed using the density functional theory (DFT) calculations were obtained. Six conformers of Tc/BHam2 complexes based on the imino-, amino- and hydroxo-BHam tautomers as cis- and trans-conformers were found. The computed IR spectra of all the conformers of Tc/BHam2 complex were analyzed and compared with experimental spectrum. The IR spectrum of the trans-Tc/amino-BHam2 which is the most stable conformer is in good agreement with the measured spectrum.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 990, Issues 1–3, 29 March 2011, Pages 152–157
Journal: Journal of Molecular Structure - Volume 990, Issues 1–3, 29 March 2011, Pages 152–157
نویسندگان
Khajadpai Thipyapong, Tomoya Uehara, Keisuke Suzuki, Yasushi Arano, Vithaya Ruangpornvisuti,