Experimental investigation of the EPR parameters and molecular orbital bonding coefficients for VO2+ ion in NaH2PO4 center dot 2H(2)O single crystals

Kalfaoglu E., Karabulut B.

PHYSICA B-CONDENSED MATTER, cilt.497, ss.19-22, 2016 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 497
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1016/j.physb.2016.06.002
  • Dergi Adı: PHYSICA B-CONDENSED MATTER
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.19-22
  • Anahtar Kelimeler: VO2+ ions, EPR, SDPD, Single crystal, Tetragonality, Bonding coefficients, ELECTRON-PARAMAGNETIC-RESONANCE, OPTICAL-ABSORPTION, GLASSES, CONDUCTIVITY, SPECTRA, STATE
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

Electron paramagnetic resonance (EPR) spectra of VO2+ ions in NaH2PO4 center dot 2H(2)O single crystal have been studied. The spin-Hamiltonian parameters and molecular orbital bonding coefficients were calculated. The angular variation of the EPR spectra shows two different VO2+ complexes. These are located in different chemical environment and each environment contains four magnetically inequivalent VO2+ sites. The crystal field around VO2+ ion is approximately axially symmetric since a strong V=O bond distorts the crystal lattice. Spin Hamiltonian parameters and molecular orbital bonding coefficients were calculated from the EPR data and the nature of bonding in the complex was discussed together. (C) 2016 Elsevier B.V. All rights reserved.