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Vibrational frequencies and force constants of N2O4 in complexes with molecules of different solvents determined by Raman spectra andAb initio calculation

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Abstract

The Raman spectra of N2O4 solutions in organic solvents have been recorded. The frequencies ofv 1,v 2, andv 3 bands of N2O4 increase with increasing solvent electron-donor properties. Especially large changes ofv 3 N-N stretching band have been observed (254.5 cm−1 in n-hexane, 276.5 cm−1 in 1,4-dioxane). The ab initio calculations have shown that the interaction between N2O4 and electron-donor molecules causes an increase of N-N and N-O stretching and O-N-O bending force constants of N2O4 in agreement with the results of Raman study.

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Correspondence to Zbigniew Kęcki.

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Miąskiewicz, K., Kęcki, Z. Vibrational frequencies and force constants of N2O4 in complexes with molecules of different solvents determined by Raman spectra andAb initio calculation. J Solution Chem 19, 465–471 (1990). https://doi.org/10.1007/BF00650379

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Key words

  • N2O4 solutions
  • Raman spectra of N2O4
  • N2O4 force constants
  • N2O4 complexes