Terahertz spectroscopy of dicyanobenzenes: Anomalous absorption intensities and spectral calculations

Esenturk O., EVANS A., Heilweil E. J.

CHEMICAL PHYSICS LETTERS, cilt.442, ss.71-77, 2007 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 442
  • Basım Tarihi: 2007
  • Doi Numarası: 10.1016/j.cplett.2007.05.067
  • Dergi Adı: CHEMICAL PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.71-77
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

Terahertz absorption spectra of three isomeric structures of dicyanobenzene in chloroform solution and solid phase at 298 K are reported. These spectra exhibit enhanced absorption in low THz range compared to most organic systems because of strong coupling to phonon modes. Molecular vibrational spectral calculations show strong correlation with the experiment especially for solution spectra. All intramolecular modes were assigned and intermolecular modes identified. Out-of-plane intramolecular modes at low frequency exhibit similar to 75 cm(-1) blue shifts as the secondary CN group moves from the para to ortho position on the benzene ring, whereas almost no frequency shift occurs for low-frequency in-plane modes. (C) 2007 Elsevier B.V. All rights reserved.