Abstract
A charge transfer hydrogen bonded complex between the electron donor (proton acceptor) 2-amino-4,6-dimethylpyridine with the electron acceptor (proton donor) chloranilic acid has been synthesized and studied experimentally and theoretically. The stability constant recorded high values indicating the high stability of the formed complex. In chloroform, ethanol, methanol and acetonitrile were found the stoichiometric ratio 1:1. The solid complex was prepared and characterized by different spectroscopy techniques. FTIR, 1H and 13C NMR studies supported the presence of proton and charge transfers in the formed complex. Complemented with experimental results, molecular modelling using the density functional theory (DFT) calculations was carried out in the gas, chloroform and methanol phases where the existence of charge and hydrogen transfers. Finally, a good consistency between experimental and theoretical calculations was found confirming that the applied basis set is the suitable one for the system under investigation.
Highlights
The charge transfer is an interaction between the electronic donors
A comparative study UV-Vis spectrum between the reactants and the formed complex was estimated using the same concentration of chloranil acid (CLA) as a reference to prevent absorption overlap of the e-acceptor (CLA) with the absorption of the formed complex
It is worthy to mention that the reactants do not show any absorption in the region of study, which confirms the production of a new compound with absorption maxima over 500 nm
Summary
The charge transfer is an interaction between the electronic donors Pauling suggested that charge transfer interaction (CT) is possible when there is a hydrogen bonding between two molecules. H-bonds are especially important in macromolecular and biological structures, such as proteins, and nucleic acids, where they are responsible for the structure of DNA molecules [3]-[9]. Zhao et al confirmed that the hydrogen-bonding dynamics in electronically excited states plays a leading role in various phenomena, such as photoinduced electron transfer and fluorescence [10] [11] [12]
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