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Die Kristallstruktur eines dinuklearen Peroxotitan(IV)‐nitrilotriacetatkomplexes
Author(s) -
Schwarzenbach Dieter,
Girgis Kamal
Publication year - 1975
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19750580818
Subject(s) - chemistry , crystallography , monoclinic crystal system , bond length , crystal structure , hydrogen bond , diffractometer , bent molecular geometry , quadruple bond , titanium , single bond , group (periodic table) , stereochemistry , bond order , molecule , organic chemistry
Crystal Structure of a Dinuclear Peroxotitanium(IV)‐Nitrilotriacetate Complex The structures of four peroxotitanium(IV) dipicolinates, with colours ranging from deep red to yellow orange, have been reported earlier, and a correlation between their colours and the variations of certain bond lengths has been proposed. This paper describes the pale yellow dinuclear peroxotitanium nitrilotriacetate complex Na 4 [Ti 2 O 5 (C 6 H 6 O 6 N) 2 ]11 H 2 O. The monoclinic structure, space group B2/b, contains 25 independent non‐hydrogen atoms and 17 hydrogen atoms. It has been determined from diffractometer data and refined to R = 3.2%. Titanium is again coordinated approximately pentagonal‐bipyramidally. The μ‐oxygen bridge occupies an axial position. The short (1.819 Å), nearly linear Ti–O–Ti bonds show double bond character. The titaniumperoxide bonds, however, are relatively long, thus confirming the rule proposed before: the more basic the axial ligands, the higher is the frequency of the absorption band, the longer are the Ti‐peroxide bonds and the shorter are the axial distances. This is confirmed by electron density maps, which are to be discussed elsewhere in detail, showing bent Ti‐peroxide bonds enclosing an angle of about 70° and a strong electron bridge on the μ‐oxygen bond. Hydrogen bonding and the packing of the complexes is discussed.