Synthesis and theoretical study of bis(fluoroisatinato)mercury(II)

Kandemirli F., Koksoy B., Arslan T., GÜNEŞDOĞDU SAĞDINÇ S., BERBER H.

JOURNAL OF MOLECULAR STRUCTURE, vol.921, pp.172-177, 2009 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 921
  • Publication Date: 2009
  • Doi Number: 10.1016/j.molstruc.2008.12.045
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.172-177
  • Eskisehir Osmangazi University Affiliated: Yes

Abstract

Bis(fluoroisatinato)mercury(II) was synthesised from the reaction between 5-fluoroisatin (HFI) and mercury(II) acetate in methanol. Mercury(II) coordination with nitrogen atom of 5-fluoroisatin molecule was observed using the FT-IR and NMR spectra of the product. Quantum chemistry calculations for 5-fluoroisatin (HFI) and bis(fluoroisatinato)mercury(II) (Hg(FI)(2)) were carried out. Vibrational analysis calculation at the RHF/LanL2DZ and B3LYP/LanL2DZ level was compared to the experimental solid-state data. UV-visible analyses were also Studied. (C) 2008 Elsevier B.V. All rights reserved.