Repozytorium
Wyszukaj
Kolekcje
Inne
Experimental and theoretical study of the photophysics and structures of europium cryptates incorporating 3,3'-bi-isoquinoline-2,2'-dioxide.
Autorzy
Rok wydania
2004
Czasopismo
Numer woluminu
5
Strony
1577-1584
DOI
10.1002/cphc.200400036
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
A detailed photophysical study of [Eu⊂(biqO2.2.2)(CF3SO3)](CF3SO3)2⋅CH3CN⋅H2O (Eu⊂1) and two other types of cryptates incorporating three 3,3′-biisoquinoline-2,2′-dioxide units has been performed. Structural crystallographic data of Eu⊂1, electronic structure calculations and theoretical models were used to obtain the intramolecular energy transfer rates and the appropriate set of rate equations, which was solved numerically. Quantum yields and decay lifetimes were obtained from these results and compared to the experimental data. The role of the ligand-to-metal charge transfer (LMCT) states was ascertained. A theoretical ligand field and intensity analysis was carried out and the results agree very well with the emission spectra. The molecular structures of the lanthanide cryptates were successfully modelled by the YIII ion using the restricted Hartree–Fock (RHF) method, with the advantage of dealing with closed-shell systems. These molecular structures were used to explain the drastic differences in the photophysics of the three EuIII cryptates.
Adres publiczny
https://doi.org/10.1002/cphc.200400036
Strona internetowa wydawcy
Podobne publikacje
Investigations of the spectral properties of lanthanide(III) complexes with 3,3'-bi-isoquinoline-2,2'-dioxide (biqO2) and a biqO2-cryptate in solution, solids, and gels.
Gawryszewska Paula, Pietraszkiewicz M., Riehl James P., Legendziewicz Janina
Solution and solid state spectroscopy of tetrakis complexes of 2,2'-bipyridine-1,1'-dioxide with europium(III).
Huskowska Ewa, Riehl James P.
Theoretical and experimental (400-10 000 cm-1) study of the vibrational spectrum of pentachlorophenol.
Czarnik-Matusewicz Bogusława, Chandra Asit K., Nguyen M. T., Zeegers-Huyskens Th.