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Ferrocenylmethylnucleobases Synthesis, DFT Calculations, Electrochemical and Spectroscopic Characterization

Elhafnaoui Lanez1, 2, Lazhar Bechki2, Touhami Lanez1
Affiliation: 
1 University of El Oued, VTRS Laboratory, B.P.789, 39000, El Oued, Algeria 2 University of Ouargla, Chemistry Department, PO Box 511, 30000, Ouargla, Algeria touhami-lanez@univ-eloued.dz
DOI: 
https://doi.org/10.23939/chcht14.02.146
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Keywords:

Abstract: 
Three ferrocenylmethylnucleobases (FcMeNb) were synthesized and characterized by cyclic voltammetry, electronic absorption, FT-IR and NMR spectroscopy. The energy of frontier molecular orbitals was determined using DFT/B3LYP method combined with 6-311++G(d,p) basis set in acetonitrile. The lower standard rate constant values of the FcMeNb compounds as compared to ferrocene indicated slower electron transfer kinetics.
References: 

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