Knowledge Bank

The vibrational absorption and CD spectrum of propylene oxide are presented and analysed. Experimental spectra have been obtained in solution at room temperature and in $N2$ matrices at $\sim 20\circ K$. Calculations of the VCD spectrum using various force fields and theoretical methodologies, including the new ab initio formalism, are reported and discussed. Comparison of our results with those of Polavorapu and Michalska is made.