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Preparation, Crystal Structures and Thermal Decomposition of Ba 2 (EDTA) and Ba 2 (EDTA)·2.5H 2 O
Author(s) -
Chen Shuang,
Hoffmann Stefan,
Prots Yurii,
Zhao JingTai,
Kniep Rüdiger
Publication year - 2010
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201000044
Subject(s) - monoclinic crystal system , barium , crystal structure , tetragonal crystal system , anhydrous , decomposition , crystallography , thermal decomposition , powder diffraction , materials science , crystal (programming language) , single crystal , chemistry , inorganic chemistry , organic chemistry , computer science , programming language
The barium ethylenediaminetetraacetato (EDTA) complexes, Ba 2 (EDTA) and Ba 2 (EDTA) · 2.5H 2 O, were hydrothermally synthesized and characterized by single‐crystal X‐ray structure determination. Ba 2 (EDTA) (monoclinic, P 2 1 / c , (No.14), a = 9.7651(10) Å, b = 8.0870(6) Å, c = 10.3313(11) Å, β = 118.024(4)°, V = 720.20(12) Å 3 , Z = 2) exhibits a layered arrangement of coordination polyhedra around barium whereas in the crystal structure of Ba 2 (EDTA) · 2.5H 2 O (tetragonal, P 4 nc , (No.104), a = 19.7126(7) Å, c = 8.9813(4) Å, V = 3490.0(2) Å 3 , Z = 8) a completely different three dimensional framework containing wide channels is formed. Thermoanalytical investigations reveal a reversible dehydration behavior for Ba 2 (EDTA) · 2.5H 2 O. The anhydrous form was characterized by PXRD ( tP , a = b = 19.226(10) Å, c = 8.986(3) Å, V = 3335.4(3) Å 3 ) and is assumed to be closely related to the crystal structure of the hydrated starting material. The final decomposition product of both compounds after heating in air up to 1000 °C was found to consist of pure BaCO 3 .