• The identification and origin of N-H group overtone and combination bands in the near infrared spectra of 2-thiopyrrole-l,2-dicarboximides

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    • Keywords


      Near IR spectra; combination modes; anharmonicity in N-H and C=O group vibrations; H-bonding in thiopyrroles

    • Abstract


      Near infrared spectra (4000–12000 cm−1) of 2-thiopyrrole-l,2-dicarboximide (TPH) and its N-deuterated analogue were measured in polycrystalline form at different temperatures between 410 K and 273 K. Spectra in solution were recorded as a function of concentration and temperature. The prominent bands so obtained could be interpreted in terms of overtone and combination bands of the N-H(D) and C-O groups modes. The results in CHCl3 and CC14 solutions allowed differentiation between hydrogen bonded and nonhydrogen bonded bands. A comparison of cubic potential constant K3, mechanical anharmonicity ωeχe and electrical anharmonicity μ21 for the stretching bands indicates that these constants are not affected much by N-deuteration.

    • Author Affiliations


      S Ram1 O P Lamba1 2 J S Yadav1 3

      1. Advanced Centre for Materials Science, Indian Institute of Technology, Kanpur - 208 016, India
      2. Department of Physics, Indian Institute of Technology, Kanpur - 208 016, India
      3. Department of Physics, Banaras Hindu University, Varanasi - 221 005, India
    • Dates

  • Journal of Chemical Sciences | News

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