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Crystal Structure and Vibrational Properties of a Sodium Oxoferrate(II) Hydroxide, Na 5 [FeO 3 ][OH]
Author(s) -
Gheorghe Dana E.,
Litvinchuk Alexander P.,
Möller Angela
Publication year - 2012
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.201200178
Subject(s) - raman spectroscopy , crystal structure , chemistry , hydroxide , ab initio , metal , crystallography , inorganic chemistry , single crystal , redox , crystal (programming language) , sodium hydroxide , lattice energy , programming language , physics , organic chemistry , computer science , optics
Na 5 [FeO 3 ][OH] has been obtained from a redox reaction between iron metal and CdO in the presence of Na 2 O and NaOH at 450 °C (5 d) as red crystals. The structure has been determined from single crystal data ( Pnma , Z = 8, a = 990.94(7) pm, b = 1016.41(7) pm, c = 1185.35(8) pm, wR 2 = 0.050) and evaluated by MAPLE calculations. In addition, we present experimental single‐crystal IR and Raman spectroscopic data to discuss aspects of the isolated [FeO 3 ] 4– complexes and non‐coordinating hydroxide in comparison with the respective cobalt compounds. Additional ab‐initio lattice dynamic calculations are included for comparison.