Abstract
Abstract Solid 1:1 CT molecular complexes of caffeine with π-acceptors (DDQ, TCNE, CHL) and with the [sgrave]-acceptor (I2) are synthesized and characterized. Spectral characteristics and thermodynamic properties of such CT complexes in CH2 Cl2 are investigated. Formation constant values of the CT complexes in various solvents are determined in the temperature range 10–25°C and discussed in terms of nature of the electron acceptor as well as solvent polarity. It is concluded that, the donor orbital of caffeine has both n and m characters.
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