In order to elucidate the origin of different behaviors of amphiphiles at the air-water interface depending on the heterocycle incorporated, intralayer multipole-multipole electrostatic energy in a two-dimensional crystalline arrangement was calculated, simulating a monolayer. The calculated interaction energies well explain the actual behavior which shows the validity of this method in the molecular design of amphiphiles.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry