Exploring the structural, vibrational, thermal, and nonlinear optical properties of a novel Cu(II) complex of 6-fluoro-pyridine-2-carboxylic acid

Tamer O., Simsek M., Avci D., Basoglu A., Bensebaa M., Boukelkoul M., ...Daha Fazla

JOURNAL OF MOLECULAR STRUCTURE, cilt.1342, 2025 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1342
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1016/j.molstruc.2025.142707
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

This study reports the synthesis, crystal structure, spectroscopic, electronic, thermal and nonlinear optical properties of a novel Cu(II) complex of 6-fluoro-pyridine-2-carboxylic acid (6Fpca) ligand. The [Cu (6Fpca)2 center dot(H2O)] complex was crystallized in the orthorhombic Pbca space group with a distorted tetragonal pyramidal coordination sphere around the central Cu(II) ion. The coordination sphere around the central Cu(II) ion was also proved by FT-IR and theoretical IR spectra. UV-Vis spectra for the Cu(II) complex revealed that the tc -> tc*, n -> tc* and ligand-metal charge transfer interactions occur in the Cu(II) complex. The first-order hyperpolarizability beta(-w;w,0) value for the [Cu(6Fpca)2 center dot(H2O)] complex was 22.265 x 10-30 esu at 0.0856252 au, exhibiting a decrease to 11.823 x 10-30 esu at 0.0428126 au. Similarly, the second-order hyperpolarizability gamma (-w; w,0,0) value was 111.07 x 10-30 esu at 0.0856252 au and decreased to 38.352 x 10-30 esu at 0.0428126 au. These results showed that the Cu(II) complex demonstrated a high degree of nonlinear optical (NLO) activity at 0.0856252 au.