Metal ion directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine: steric and electronic restrictions

[Display omitted] A NiII-directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine results in formation of octahedral NiII complex, whose crystal structure has been resolved using single crystal X-ray diffraction. The structure indicates that only exocyclic enolic oxygen atom of...

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Bibliographic Details
Published inMendeleev communications Vol. 30; no. 4; pp. 519 - 521
Main Authors Ahmedova, Anife, Zareva, Sonya, Dołęga, Anna
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.07.2020
Subjects
crystal structure
indan-1,3-dione
NiII complex
quantum chemical calculations
template synthesis
β-triketones
crystal structure
β-triketones
quantum chemical calculations
template synthesis
NiII complex
indan-1,3-dione
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Summary:[Display omitted] A NiII-directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine results in formation of octahedral NiII complex, whose crystal structure has been resolved using single crystal X-ray diffraction. The structure indicates that only exocyclic enolic oxygen atom of the triketone takes part in the condensation with ethylenediamine. Quantum chemical calculations reveal insights into the observed reactivity of an initial NiII complex of 2-acetyl-1,3-indandione with ethylenediamine and point out steric effects as the main restriction for a complete cyclization into a tetraaza macrocycle.
ISSN:0959-9436
DOI:10.1016/j.mencom.2020.07.039