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Strong Pseudo‐Jahn–Teller Effect in the Structure of pyH[MnF 2 (C 2 O 4 )(H 2 O) 2 ]
Author(s) -
Leo Roland,
Massa Werner
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.201000061
Subject(s) - pyridinium , crystallography , oxalate , octahedron , chemistry , hydrogen bond , monoclinic crystal system , crystal structure , jahn–teller effect , denticity , ion , inorganic chemistry , molecule , medicinal chemistry , organic chemistry
The first crystal structure of an oxalato‐fluoromanganate(III) was determined for pyH[MnF 2 (C 2 O 4 )(H 2 O) 2 ]: monoclinic, space group I2 / a , Z = 4, a = 7.2260(5), b = 15.2398(8), c = 9.916(7) Å, β = 98.22(5)°, R = 0.0297. The pyridinium salt crystallized from hydrofluoric acid solution at low temperature and in the dark. The structure of the anion shows octahedral coordination of Mn III with cis ‐position of the fluorine ligands opposite to the bidentate bonded oxalate anion, and remarkable elongation of the H 2 O–Mn–OH 2 axis due to a strong pseudo‐Jahn–Teller effect. The pyridinium cation is fixed to the oxalate anion by a bifurcated hydrogen bond. The anions are linked by strong hydrogen bonds O–H···F and O–H···O to form a 3D network.