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
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
IR spectroscopic and DFT investigations on molecular conformations of thio-free oxo technetium (V) benzamidoxime complexes
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
نویسندگان
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