Synthesis, Crystal Structure, and Porosity Estimation of Hydrated Erbium Terephthalate Coordination Polymers
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- 作者：Carole Daiguebonne ; Nicolas Kerbellec ; Kevin Bernot ; Yves Gé ; rault ; André ; Deluzet ; and Olivier Guillou
- 刊名：Inorganic Chemistry
- 出版年：2006
- 出版时间：July 10, 2006
- 年：2006
- 卷：45
- 期：14
- 页码：5399 - 5406
- 全文大小：738K
- 年卷期：v.45,no.14(July 10, 2006)
- ISSN：1520-510X
文摘
The reaction of the Er3+ ion with polycarboxylate ligands in gel media leads to coordination polymers exhibitingvarious structural types and dimensionalities. Five Er3+/1,4-benzenedicarboxylate-based coordination polymers havebeen obtained in such conditions. Four out of the five are new. Their crystal structures are reported and comparedherein. Compound 1, namely, Er2Ter3(H2O)6, where H2Ter symbolizes the terephthalic acid, crystallizes in thespace group P
(No. 2) with a = 7.8373(10) Å, b = 9.5854(2) Å, c = 10.6931(2) Å, 
= 68.7770(8)
, 
=70.8710(8), and 
= 75.3330(12). It has already been reported elsewhere. The last four compounds are new.Compound 2, namely, Er2Ter3(H2O)6·2H2O, crystallizes in the space group P121/a1 (No. 14) with a = 6.7429(2)Å, b = 22.4913(7) Å, c = 9.6575(3) Å, and = 91.6400(18). Compound 3, namely Er2Ter3(H2O)8·2H2O crystallizesin the space group P (No. 2) with a = 7.5391(2) Å, b = 10.0533(3) Å, c = 10.4578(3) Å, = 87.7870(10), = 82.5510(11), and = 86.2800(16). Compound 4, namely, Er2Ter3(H2O)6·2H2O crystallizes in the spacegroup C2/c (No. 15) with a = 38.5123(13) Å, b = 11.1241(4) Å, c = 7.0122(2) Å, and = 98.634(2). Compound5, namely, Er2Ter3(H2O)6·H2O, crystallizes in the space group P (No. 2) with a = 6.8776(10) Å, b = 11.0420(2)Å, c = 18.5675(3) Å, = 84.7240(6), = 81.8380(6), and = 84.1770(8). A computational method has alsobeen developed to evaluate the potential porosity of the coordination polymers. This method is described and thenapplied to the different Er2Ter3(H2O)n coordination polymers previously described.
(No. 2) with a = 7.8373(10) Å, b = 9.5854(2) Å, c = 10.6931(2) Å, = 68.7770(8), =70.8710(8), and = 75.3330(12). It has already been reported elsewhere. The last four compounds are new.Compound 2, namely, Er2Ter3(H2O)6·2H2O, crystallizes in the space group P121/a1 (No. 14) with a = 6.7429(2)Å, b = 22.4913(7) Å, c = 9.6575(3) Å, and = 91.6400(18). Compound 3, namely Er2Ter3(H2O)8·2H2O crystallizesin the space group P (No. 2) with a = 7.5391(2) Å, b = 10.0533(3) Å, c = 10.4578(3) Å, = 87.7870(10), = 82.5510(11), and = 86.2800(16). Compound 4, namely, Er2Ter3(H2O)6·2H2O crystallizes in the spacegroup C2/c (No. 15) with a = 38.5123(13) Å, b = 11.1241(4) Å, c = 7.0122(2) Å, and = 98.634(2). Compound5, namely, Er2Ter3(H2O)6·H2O, crystallizes in the space group P (No. 2) with a = 6.8776(10) Å, b = 11.0420(2)Å, c = 18.5675(3) Å, = 84.7240(6), = 81.8380(6), and = 84.1770(8). A computational method has alsobeen developed to evaluate the potential porosity of the coordination polymers. This method is described and thenapplied to the different Er2Ter3(H2O)n coordination polymers previously described.