Repozytorium
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Kolekcje
Inne
Synthesis, X-ray studies, spectroscopic investigation, and DFT calculations of [ReBr3(dppt)(OPPh3)].
Autorzy
Rok wydania
2010
Czasopismo
Numer woluminu
21
Strony
761-769
DOI
10.1007/s11224-010-9609-7
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The reaction of [ReOBr3(PPh3)2] with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-trazine(dppt)hasbeenexamined and [ReBr3(dppt)(OPPh3)] has been obtained. Itwas characterised by IR, UV–Vis spectroscopy, magneticmeasurements, and X-ray crystallography. The electronicstructure of [ReBr3(dppt)(OPPh3)] has been studied byDFT/B3LYP level calculations, and TDDFT calculationswere employed for discussion of its electronic spectrum inmore detail. The magnetic behavior is characteristic ofmononuclear complexes with d4low-spin octahedralRe(III) complexes (3T1gground state) and arise because ofthe large spin–orbit coupling (f=2500 cm-1), whichgives diamagnetic ground state.
Słowa kluczowe
Rhenium complexes, 6-Diphenyl-3-(2-pyridyl)-1, molecule, 4-trazine, X-ray and electronic structure, DFT calculations, magnetic measurements
Adres publiczny
http://dx.doi.org/10.1007/s11224-010-9609-7
Strona internetowa wydawcy
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