New Ferrocene Based Thiourea and Guanidines: Synthesis, Structural Elucidation, Aggregation Properties, DNA Binding Studies, and DFT calculations

One new ferrocenyl thiourea and four new ferrocene-based alkyl guanidines have been successfully synthesized and well characterized by FT-IR, 1H and 13C NMR. Aggregation properties of ferrocene-based guanidines have been assessed by determining their critical micelles concentration through tensiomet...

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Bibliographic Details
Published inJournal of the Chemical Society of Pakistan Vol. 41; no. 6; p. 1126
Main Authors Maria Azeem, Maria Azeem, Jahangeer Ali Patujo, Jahangeer Ali Patujo, Saira Fatima, Saira Fatima, Amin Badshah, Amin Badshah, Laiba Saleem and Saif ur Rehman, Laiba Saleem and Saif ur Rehman
Format Journal Article
LanguageEnglish
Published Knowledge Bylanes 31.12.2019
Subjects
DNA
DNA binding
Guanidines
Iron compounds
Metallocenes
Ultraviolet-visible spectroscopy
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Summary:One new ferrocenyl thiourea and four new ferrocene-based alkyl guanidines have been successfully synthesized and well characterized by FT-IR, 1H and 13C NMR. Aggregation properties of ferrocene-based guanidines have been assessed by determining their critical micelles concentration through tensiometry and UV-Visible spectroscopy in the ethanol solution. The results obtained through both the techniques were in close agreement. DFT calculations were performed to calculate the charges distribution, EHOMO, ELUMO and band gaps of synthesized compounds which were further supported through UV-Visible spectroscopy. Due to the ability of ferrocene and guanidine compounds to bind with DNA, their DNA binding studies were performed through cyclic voltammetry and UV-Visible spectroscopy. Binding constant values of the guanidine derivatives are higher than the thiourea and have a linear dependence on the lipophilicity.
ISSN:0253-5106
DOI:10.52568/000817/JCSP/41.06.2019