Design of ligands to obtain lanthanide ion complexes displaying high quantum efficiencies of luminescence using the sparkle model

被引：29

作者：

Faustino, WM ^{[1
]}

Rocha, GB ^{[1
]}

Silva, FRGE ^{[1
]}

Malta, OL ^{[1
]}

de Sá, GF ^{[1
]}

Simas, AM ^{[1
]}

机构：

[1] Univ Fed Pernambuco, Dept Quim Fundamental, BR-50670901 Recife, PE, Brazil

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2000年 / 527卷

关键词：

sparkle model; lanthanide complexes; energy transfer; quantum efficiencies of luminescence;

D O I：

10.1016/S0166-1280(00)00497-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper we exemplify how to use our sparkle model for the calculation of lanthanide complexes (SMLC-AM1-INDO/S-CI) together with Fermi's golden rule with the multipolar and exchange mechanisms to describe the ligand-lanthanide ion energy transfer for the purpose of designing ligands to obtain complexes displaying high quantum efficiencies of luminescence. Accordingly, we propose aromatic imides as efficient antennas and energy transfer ligands when coordinated to Eu3+ ion. More specifically we designed Eu(btfai)(3)bipy (btfai = benzoyltrifluoroacetylimide anion and bipy = bipyridine) and Eu(bzaci)(3)bipy (bzaci = benzoylacetylimide anion) which we then compare with their beta-diketone analogues Eu(btfa)(3)bipy (btfa = benzoyltrifluoroacetonate) and Eu(bzac)(3)bipy (bzac = benzoylacetonate), which have been previously synthesized and whose quantum efficiencies we have also previously measured. (Our theoretical results indicate that indeed the quantum efficiencies of Eu(btfai)(3)bipy and Eu(bzaci)(3)bipy are electronically equivalent to their highly luminescent beta-diketone analogues with the advantage of one less hydrogen directly bonded to the central atom of the beta-dicarbonylic anionic species. Indeed the possibility of vibronic coupling through that bond vibrational mode, which may be partially quenching the luminescence from the D-5(0) level of the Eu3+ ion in the beta-diketone analogues case, is thus eliminated. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：245 / 251

页数：7

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