Effect of temperature on formation of two new lanthanide metal-organic frameworks: Synthesis, characterization and theoretical studies of Tm(III)-succinate

被引：28

作者：

de Oliveira, Carlos Alberto F. ^{[1
]}

da Silva, Fausthon Fred ^{[1
]}

Malvestiti, Ivani ^{[1
]}

Malta, Valeria Rodrigues dos S. ^{[2
]}

Dutra, Jose Diogo L. ^{[3
]}

da Costa, Nivan B., Jr. ^{[3
]}

Freire, Ricardo O. ^{[3
]}

Junior, Severino A. ^{[1
]}

机构：

[1] Univ Fed Pernambuco, Dept Fundamental Chem, BR-50590470 Recife, PE, Brazil

[2] Univ Fed Alagoas, Inst Chem & Biotechnol, BR-57062970 Maceio, AL, Brazil

[3] Univ Fed Sergipe, Dept Chem, BR-49100000 Sao Cristovao, SE, Brazil

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2013年 / 197卷

关键词：

Metal-organic frameworks; Succinates; Hydrothermal synthesis; Thulium; Sparkle; RARE-EARTH COMPLEXES; HYDROTHERMAL SYNTHESIS; CRYSTAL-STRUCTURES; SPARKLE MODEL; PARAMETERS; LIGAND; DICARBOXYLATE; PREDICTION; NETWORKS; GD(III);

D O I：

10.1016/j.jssc.2012.08.036

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two new metal-organic frameworks (MOFs) have been synthesized under different hydrothermal conditions and characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy and elemental analysis. Compound 1, crystallized in space group P (1) over bar with the formula [Tm-2(L)(3)(H2O)(2)]center dot H2O, (H2L = succinic acid), has triclinic cell parameters of a = 7.61780(10), b = 10.58050(10), c = 12.71030(10), alpha = 95.3130(10), beta = 107.4370(10), gamma = 111.0960(10) and a cell volume of 888.446(16) A(3). Compound 2, crystallized in space group I2/a with the same formula, is monoclinic, with cell parameters of a = 13.77020(10), b = 7.63170(10), c = 17.2410(2), beta = 101.303(10) and a cell volume of 1776.72(3) A(3). The results of this work indicate that a flexible succinate ligand that provides several modes of coordination can lead to different conformations, depending on the temperature used in the reaction. In the theoretical part of this study, semiempirical quantum chemistry methods using AM1, PM3 and PM6 models are employed to predict the structure of MOFs, calculate the geometric and crystallographic parameters, and make comparisons with experimental data. (c) 2012 Elsevier Inc. All rights reserved.

引用

页码：7 / 13

页数：7

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