Surface Activities and Quantum Chemical Calculations for Different Synthesized Cationic Gemini Surfactants

Three series of cationic gemini surfactants were prepared and characterized using elemental analysis and H-1-NMR spectroscopy. The surface properties of them, critical micelle concentration (CMC), surface excess concentration (Gamma(max)) and minimum surface area per molecule (A(min)) were evaluated via surface tension measurements. Quantum chemical parameters, such as the energy of the highest occupied molecular orbital (E-H), the energy of the lowest unoccupied molecular orbital E-L, the energy gap (Delta E-g), dipole moment (mu), electronegativity (chi), hardness (eta), electrophilicity (omega), hydrophobicity (Log P), approximated surface area (A) and the total energy of the optimized structure (Delta E-T), were theoretically calculated using the MNDO method.