Electrostatic potential and electric field maps of some suosan series of sweeteners have been studied. Geometries optimized using the MNDO molecular orbital method and charge distributions obtained by the Mulliken population analysis were employed in the calculations. Sweetness potencies of the molecules were compared with electrostatic potentials and electric field strengths near the terminal COOH group. The observed sweetness potencies of the compounds and calculated electric fields near the carbonyl oxygen of the COOH group are found to be strongly correlated. © 1994 John Wiley & Sons, Inc.
|Number of pages||7|
|Journal||International Journal of Quantum Chemistry|
|Publication status||Published - 01-01-1994|
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry