کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1337477 1500290 2012 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Rhenium(I) carbonyl complexes with redox non-innocent 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole ligands: An experimental and theoretical studies
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Rhenium(I) carbonyl complexes with redox non-innocent 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole ligands: An experimental and theoretical studies
چکیده انگلیسی

The new rhenium(I) carbonyl complexes containing {Re(CO)3}+ fragment with redox non-innocent ligands L1/L2 (L1, 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole and L2, 1-ethyl-2-{(o-thioethyl)phenylazo}imidazole) having general formula fac-[ReX(CO)3(L1/L2)] (1/2) (X = Cl (1) and Br (2)) have been synthesized and characterized by both experimental and theoretical studies. The structural confirmation has been carried out for 1a. The complexes show one irreversible ReI/ReII oxidation and one reversible along with an irreversible ligand reduction in the cyclic voltammetric studies. The electronic structure and the nature of Re–CO bonding has been explained by means of DFT and NBO calculations. The spin allowed singlet–singlet electronic transitions of 1a and 2a have been calculated with TDDFT method, and the experimental spectra of the complexes have been discussed on this basis.

The new rhenium(I) carbonyl complexes containing {Re(CO)3}+ fragment with redox non-innocent ligands L1/L2 (L1, 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole and L2, 1-ethyl-2-{(o-thioethyl)phenylazo}imidazole) having general formula fac-[ReX(CO)3(L1/L2)] (1/2) (X = Cl (1) and Br (2)) have been synthesized and characterized by both experimental and theoretical studies (DFT, NBO and TDDFT). X-ray and IR studies confirm the facial geometry of the carbonyl ligand in the complexes. The complexes show one irreversible ReI/ReII oxidation and one reversible along with an irreversible ligand reduction in the cyclic voltammetric studies.Figure optionsDownload as PowerPoint slideHighlights
► Rhenium(I) carbonyl complexes with redox non-innocent 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole ligands.
► Synthesis and spectral characterization.
► X-ray and electronic structure.
► DFT and TD DFT calculations.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polyhedron - Volume 40, Issue 1, 19 June 2012, Pages 46–52
نویسندگان
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