Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes

ATAÇ A., YURDAKUL Ş., BERBER S.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.81, sa.1, ss.684-689, 2011 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 81 Sayı: 1
  • Basım Tarihi: 2011
  • Doi Numarası: 10.1016/j.saa.2011.07.002
  • Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.684-689
  • Anahtar Kelimeler: Infrared spectra, Nicotinamide, Metal halide complexes, DFT, STATE VIBRATIONAL SPECTROSCOPY, DONOR-ACCEPTOR COMPLEXES, HALIDE-COMPLEXES, PYRIDINE, BEHAVIOR, SPECTRA, DENSITY
  • Gazi Üniversitesi Adresli: Evet

Özet

We report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia)(2)Cl(2); M = Mn, Co; nia:nicotinamide, M(nia)(2)Br(2); M = Mn, Hg; M(nia)(2)l(2); M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (OFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric octahedral or distorted polymeric octahedral. Spin polarized electronic ground state is obtained for Mn, Co, and Cu halide complexes. The colors of the complexes also support the conclusion of octahedral coordination around the metal atoms, in agreement with OFT results. (C) 2011 Elsevier B.V. All rights reserved.