Aromatic λ3 heterocycles XIV. Fosfinine-ether macrocyclesheterocycles XIV. Fosfinine-ether macrocycles

The geometry and electronic structure of several phosphinine-ether macrocycles were investigated at semiempirical level. The calculated geometries are in good agreement with experimental data. Compared to phosphinine, the coordinative abilities of phosphinineether macrocycles based on energy conside...

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Bibliographic Details
Published inOpen Chemistry Vol. 3; no. 1; pp. 174 - 187
Main Authors Pacureanu, Liliana, Mracec, Mircea
Format Journal Article
LanguageEnglish
Published Versita 01.03.2005
De Gruyter
Subjects
electronic structure
phosphinine-ether macrocycles
semiempirical methods
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Summary:The geometry and electronic structure of several phosphinine-ether macrocycles were investigated at semiempirical level. The calculated geometries are in good agreement with experimental data. Compared to phosphinine, the coordinative abilities of phosphinineether macrocycles based on energy considerations suggest a little lowered π acceptor character, while π donor character is improved. The molecular environment causes a significant mixing of phosphinine and phenyl substituent π levels. The geometry and electronic properties of phosphinine-ether macrocycles can provide significant host coordination properties for guest species.
ISSN:2391-5420
2391-5420
DOI:10.2478/BF02476248