2008
DOI: 10.1007/s11224-008-9393-9
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A combined experimental and theoretical approach for structural study on a new cinnamoyl derivative of 2-acetyl-1,3-indandione and its metal(II) complexes

Abstract: The synthesis, structure and spectral properties of a new cinnamoyl derivative of 2-acetyl-1,3-indandione (2AID), p-fluoro-cinnamoyl-1,3-indandione, LH and its metal(II) complexes with Cu(II), Zn(II) and Cd(II), are described. In order to verify the molecular structure of the free ligand and its metal complexes, model geometries based on the spectroscopic data were optimized using quantum chemical methods. The experimental spectroscopic data (IR and NMR) of the ligand, LH, complemented by the calculated ones, … Show more

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Cited by 18 publications
(8 citation statements)
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“…That is why we turned to the study of the 4-and 5-nitro-cinnamoyl derivatives with five-cycle heteroaldehyde and the ability to form complexes with transition metals, in this case Cu 2+ . The relative stability of the potential enol tautomers in the cinnamoyl derivatives, unsubstituted in the phthaloyl core, has been established [25] through optimization by HF and DTF methods [25]. The resulting relative energies indicate that the exocyclic enol form (a) is the most favourable.…”
Section: Resultsmentioning
confidence: 99%
“…That is why we turned to the study of the 4-and 5-nitro-cinnamoyl derivatives with five-cycle heteroaldehyde and the ability to form complexes with transition metals, in this case Cu 2+ . The relative stability of the potential enol tautomers in the cinnamoyl derivatives, unsubstituted in the phthaloyl core, has been established [25] through optimization by HF and DTF methods [25]. The resulting relative energies indicate that the exocyclic enol form (a) is the most favourable.…”
Section: Resultsmentioning
confidence: 99%
“…More complicated is the case when there are water molecules in the composition of the complexes. Based on our previous studies on the structure of metal complexes of 2-acetyl-1,3-indandione [40][41][42][43], it can be supposed that the Zn(II), Cd(II), Co(II) and Ni(II) complexes contain two water molecules, which are axially coordinated to the metal center. Therefore, an octahedral structure for these complexes is suggested.…”
Section: Complexation Properties Of Compounds 1-4mentioning
confidence: 99%
“…Recently, the structures of various metal complexes of 2-acetyl-1,3-indandione, 2AID, have also been studied by means of spectroscopic, theoretical and crystallographic methods [40][41][42]. Lastly our interest was directed to a series of derivatives of 2AID in which the methyl group is substituted by an extended π-conjugated system, known as 2-cinnamoyl-1,3-indandiones and their complexation properties [43].…”
Section: Introductionmentioning
confidence: 99%
“…On the other hand, 2AID was suggested as an extracting and spectrophotometric agent for isolation and detection of Fe 3+ ions [3,4] and the formed complex has been characterized by optical methods. Challenged by the optical and complexation properties of 2AID we have studied a series of its metal complexes [2,5,6] by means of spectroscopic and theoretical methods as well as of its derivatives [7][8][9]. X-ray structures of metal complexes of 2AID were reported for the Co(II) [6] and the Fe(III) [5] complexes along with detailed magnetochemical, Mössbauer and EPR data.…”
Section: Introductionmentioning
confidence: 99%