Electronic [UV-Visible] and vibrational [FT-IR] investigation and NMR spectroscopic analysis of some halogen substituted chromone (6-Fluorochromone, 6-Chlorochromone, 6-Bromochromone)

Creative Commons License

Erdoğdu Y., Yurdakul Ş., Badoglu S., Gulluoglu M. T.

JOURNAL OF MOLECULAR STRUCTURE, cilt.1184, ss.364-374, 2019 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1184
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1016/j.molstruc.2019.02.016
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.364-374
  • Anahtar Kelimeler: DFT, FT-IR, NMR, UV-Vis spectra, Chromone, Some halogen substituted chromone, AB-INITIO, SPECTRAL INVESTIGATIONS, MOLECULAR-STRUCTURE, HOMO-LUMO, DFT, RAMAN, ABSORPTION, SCAFFOLD, ZN(II), DNA
  • Gazi Üniversitesi Adresli: Evet

Özet

This work deals with the successful spectroscopic properties (infrared, Nuclear magnetic resonance and UV-Vis) and theoretical calculations of chromone and some 6-halogen substituted chromone [C9O2H5X (X: F, Cl and Br)] molecules, namely Chromone (Chr), 6-Fluorochromone (6-Flchr), 6-Chlorochromone (6-Clchr), 6-Bromochromone (6-Brchr). The analysis of the infrared, NMR and UV-Vis spectra of chromone and some halogen substituted chromone molecules, supported by DFT calculations, for the first time has afforded the opportunity to characterize unambiguously the main vibrational bands for these important molecules. (C) 2019 Elsevier B.V. All rights reserved.