Examining the binding mechanism of 3,4-dihydro-3-(2-oxo-2-phenylethylidene) -quinoxalin-2(1H)-one and its fragments to Cu2+

Efrat Korin, Beny Cohen, Yong Dong Liu, Cheng Chu Zeng, Alexander I. Shames, James Y. Becker

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


The structure and stoichiometries of the complexes that could be formed between Cu2+ and 3,4-dihydro-3-(2-oxo-2-phenylethylidene)-quinoxalin- 2(1H)-one (1) were investigated by various spectral techniques such as IR, fluorescence, UV-vis and electron paramagnetic resonance (EPR). The results suggest that initially 3 : 1 and 2 : 1 (1/Cu2+) complexes are formed at low Cu2+ concentration and upon adding more Cu2+, 1 : 1 (preferred) and 1 : 2 complexes are generated. Since 1 possesses two possible binding sites, further exploration was done by testing the binding ability of Cu2+ to fragments of 1, namely β-enaminoketone derivatives (2-3) and quinoxaline-2-one (4), and by executing calculations of thermodynamic parameters of the reaction between 1 and Cu2+ in ethanol, optimized geometries of the possible complexes, and estimation of stability constants at various stoichiometries. Consequently, a step-by-step binding mechanism is suggested for formation of various complexes between 1 and Cu2+.

Original languageEnglish
Pages (from-to)2351-2366
Number of pages16
JournalJournal of Coordination Chemistry
Issue number13
StatePublished - 23 Jul 2013


  • Chelate
  • Cu binding
  • Ligands
  • N,O
  • Quinoxalinone derivatives
  • Stability constants

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry


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