The characteristics of Raman spectroscopy of isomer CBD- and THC-Au nanoparticles using the density functional theory.
The isomers cannabidiol (CBD) and Δ9-tetrahydrocannabinol (THC) can both be extracted from cannabis. We use density functional theory to study the Raman activity spectra, frontier molecular orbitals, and molecular electrostatic potentials of CBD, THC, and their respective gold complexes. A selectivity enhancement phenomenon for the spectral peaks at frequencies of 1144 cm