Stoichiometry and conformation of the azacrown moiety in sodium complexes of azacrown ethers. A Raman/IR spectroscopic study. Part I: Complexes of 4,13-Diaza-18-crown-6 |
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| Authors: | Takayuki Chujo Isao Saraoka Shinobu Kato Hiroyasu Sato Koichi Fukuhara Hiroatsu Matsuura |
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| Institution: | (1) Department of Chemistry for Materials, Faculty of Engineering, Mi'e University, 514 Tsu, Japan;(2) Institute for Molecular Science, Myodaiji, 444 Okazaki, Japan;(3) Department of Chemistry, Faculty of Science, Hiroshima University, Kagamiyama, 724 Higashi-Hiroshima, Japan |
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| Abstract: | Three sodium complexes (bromide, iodide and thiocyanate) of 4,13-diaza-18-crown-6 were studied using Raman and IR spectroscopy and normal coordinate calculations to probe the stoichiometry of the complexes and the variation in the conformation of azacrown moiety on complex formation. complex formation is accompanied by characteristic shifts of the bands, especially of those in the 800–900 cm–1 region. Complexes of both 1 1 and 21 stoichiometry were observed. Normal coordinate calculations showed the reduction of symmetry of azacrown moiety toC
i
, in contrast to theC
2h
symmetry known for the parent azacrown and potassium thiocyanate complex. |
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| Keywords: | Azacrown ether sodium complex conformation Raman/IR spectra normal mode calculations |
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