Aqueous solutions of Europium(III) dipicolinate complexes: Estimates of water coordination based on molecular dynamics simulations and excited state decay rate constants

被引：17

作者：

An, YZ

Berry, MT ^{[1
]}

van Veggel, FCJM

机构：

[1] Univ S Dakota, Dept Chem, Vermillion, SD 57069 USA

[2] Univ Twente, Labs Supramol Chem & Technol, NL-7500 AE Enschede, Netherlands

[3] Univ Twente, MESA Res Inst, NL-7500 AE Enschede, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 47期

关键词：

D O I：

10.1021/jp001534p

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：

The rate constants for decay of the Eu3+(D-5(0)) excited state are reported for aqueous Eu(dipicolinate)(n)(3-2n) complexes with n = 0-3 in H2O and D2O at 295 K. These rate constants are used to estimate water coordination numbers, and the results are compared to parallel molecular dynamics calculations, showing good general agreement. Electronic energy exchange between species with differing numbers of coordinated dipicolinate ligands is examined and is found to be most significant for species of opposite charge.

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页码：11243 / 11247

页数：5

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