A series of compounds of Ph-CH2-CH2-Z, with substituents Z = -H, -F, -NH3+, and -CH3, were subjected to conformational analysis. Conformational potential energy surfaces were generated and their minima were geometrically optimized at three levels of theory. The relative stabilities of the minima correlated with the electron withdrawing nature of the substituents (Z).
- Biogenic amines
- Conformational analysis
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry