Repozytorium
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Kolekcje
Inne
Synthesis, crystal, molecular and electronic structure of [ReOCl3(phen)] and [ReCl2(phen)(PPh3)2](ReO4) complexes.
Autorzy
Rok wydania
2006
Czasopismo
Numer woluminu
25
Strony
2537-2549
DOI
10.1016/j.poly.2006.02.021
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The reactions of [ReOCl3(OAsPh3)(AsPh3)] and [ReOCl3(PPh3)2] with 1,10-phenanthroline (phen) have been examined and the complexes [ReOCl3(phen)] (1) and [ReCl2(phen)(PPh3)2](ReO4) (2) have been obtained. The crystal and molecular structures of 1 and have been determined. The geometric parameters of 1 and 2 have been examined with the density functional theory (DFT) method. The spin-allowed electronic transitions have been calculated with the time-dependent DFT method for [ReOCl3(phen)], [ReCl2(phen)(PPh3)2]+ cation and anion, and the UV–Vis spectra of the title compounds have been discussed on this basis.
Słowa kluczowe
Rhenium oxo complexes, Phenanthroline, X-ray structure, DFT calculations
Adres publiczny
https://doi.org/10.1016/j.poly.2006.02.021
Strona internetowa wydawcy
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