Synthesis, crystal structure determination and theoretical prediction of the structure and electronic spectrum of Eu(btfa)(3)bipy

被引:21
作者
Batista, HJ
deAndrade, AVM
Longo, RL
Simas, AM
deSa, GF
Thompson, LC
机构
[1] UNIV FED PERNAMBUCO, CCEN, DEPT QUIM FUNDAMENTAL, BR-50670901 RECIFE, PE, BRAZIL
[2] UNIV FED PERNAMBUCO, DEPT ENGN QUIM, BR-50670901 RECIFE, PE, BRAZIL
[3] UNIV MINNESOTA, DEPT CHEM, DULUTH, MN 55812 USA
关键词
sparkle; SMLC/AM1; INDO/S-CI; luminescence;
D O I
10.1016/S0022-2313(96)00158-5
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The adduct Eu(btfa)(3)bipy (btfa = 4,4,4-trifluoro-1-phenyl-2,4-butanedione, bipy = 2,2'-bipyridine) was synthesized and its X-ray structure was determined. The UV absorption spectra of the ligands and complex were obtained in ethanolic solution. The luminescence spectrum of the solid complex at 77 K suggests the existence of a single emitting site, in agreement to the X-ray structure. The electronic spectrum of the complex was fairly predicted via the INDO/S-CI method, using either of two input geometries: one from the X-ray data and another obtained by the SMLC/AM1 method. Finally, we have also observed that the fluorinated beta-diketonates of Eu(III) adducts, like Eu(btfa)(3)bipy, are more luminescent than the analogous nonfluorinated ones.
引用
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页码:159 / 161
页数:3
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