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On n-pi Elektron Distribution in Simple Keto-Enol tautomeric Systems: H3C-C(R)=O==H2C=C(R)-OH and RH@C-CH=O==RHC=CH-OH

Raczyńska E.

Polish Journal of Chemistry

2005

Vol. 79 / nr 4

749-758

Variations of the n- electron distribution during the tautomeric interconversion and substituent effects were analysed for simple keto-enol tautomeric systems of general formulae H3C-C(R)=O H2C=C(R)-OH and RH2C-CH=O RHC=CH-OH using the geometry-based HOMA index.

On n-pi Electron Distribution in Simple Acyclic Tetrad and Pentad Tautomeric Systems

Raczyńska E.

Polish Journal of Chemistry

2005

Vol. 79 / nr 6

1003-1013

Variations of the n-pi electron distribution during the tautomeric interconversion were analysed for simple acyclic tetrad and pentad tautomeric systems using the geometry- based HOMA index. Internal effects such as Y-conjugation, push-pull effect and intramolecular H-bonding were discussed.