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- W2085518280 abstract "The paper concerns two novel oxorhenium(V) complexes incorporating 2-(hydroxymethyl)benzimidazole and 2-(2′-hydroxyphenyl)benzimidazole ligands. The compounds [ReO(hmbzim) 2 (py)]Cl·H 2 O ( 1 ) and [ReO(hpbzim) 2 (Hhpbzim)]Cl ( 2 ) have been characterised structurally (by single-crystal X-Ray diffraction) and spectroscopically (by IR, NMR, UV–Vis). The experimental studies on the Re(V) complexes have been accompanied computationally by the density functional theory (DFT) and time-dependent DFT calculations. Additional information about binding between the rhenium atom and oxo ligand in the complexes 1 and 2 has been obtained by NBO analysis. The paper presents a combined experimental and computational study of novel oxorhenium(V) complexes incorporating 2-(hydroxymethyl)benzimidazole and 2-(2-hydroxyphenyl)-1H-benzimidazole ligands, namely [ReO(hmbzim) 2 (py)]Cl·H 2 O ( 1 ) and [ReO(hpbzim) 2 (Hhpbzim)]Cl ( 2 ). Both complexes have been characterised structurally (by single-crystal X-Ray diffraction) and spectroscopically (by IR, NMR, UV–Vis). The experimental studies on the Re(V) complexes have been accompanied computationally by the density functional theory (DFT) and time-dependent DFT calculations. Additional information about binding between the rhenium atom and oxo ligand in the complexes 1 and 2 has been obtained by NBO analysis." @default.
- W2085518280 created "2016-06-24" @default.
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- W2085518280 date "2012-08-01" @default.
- W2085518280 modified "2023-09-27" @default.
- W2085518280 title "Synthesis, X-ray studies, spectroscopic characterization and DFT calculations of [ReO(hmbzim)2(py)]Cl·H2O and [ReO(hpbzim)2(Hhpbzim)]Cl" @default.
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- W2085518280 doi "https://doi.org/10.1016/j.poly.2012.06.062" @default.
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