کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1339808 979715 2007 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A novel tricarbonyl rhenium complex of 2-thienyl-N,N-bis(2-thienylmethylene)methanediamine – X-ray structure, spectroscopic characterisation and DFT calculations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
A novel tricarbonyl rhenium complex of 2-thienyl-N,N-bis(2-thienylmethylene)methanediamine – X-ray structure, spectroscopic characterisation and DFT calculations
چکیده انگلیسی

The reaction of Re(CO)5Cl with 2-thienyl-N,N  -bis(2-thienylmethylene)methanediamine (tbtmma) has been examined and a novel Re(CO)3+ tricarbonyl – fac-[Re(CO)3(tbtmma)Cl] – has been obtained. The compound has been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of the tricarbonyl has been calculated with the density functional theory (DFT) method. The spin-allowed singlet–singlet electronic transitions of [Re(CO)3(tbtmma)Cl] have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of the title compound has been discussed on this basis.

The reaction of Re(CO)5Cl with 2-thienyl-N,N  -bis(2-thienylmethylene)methanediamine (tbtmma) has been examined and a novel Re(CO)3+ tricarbonyl – fac-[Re(CO)3(tbtmma)Cl] – has been obtained. The compound has been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of the tricarbonyl has been calculated with the density functional theory (DFT) method. The spin-allowed singlet–singlet electronic transitions of [Re(CO)3(tbtmma)Cl] have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of the title compound has been discussed on this basis.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polyhedron - Volume 26, Issue 12, 23 July 2007, Pages 2543–2549
نویسندگان
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