Visualizing a Single-Crystal-to-Single-Crystal [2+2] Photodimerization through its Lattice Dynamics: An Experimental and Theoretical Investigation.

ABSTRACT: In homogeneous solid-state reactions, the single-crystal nature of the starting material remains unchanged, and the system evolves seamlessly through a series of solid solutions of reactant and product. Among [2+2] photodimerizations of cinnamic acid derivatives in the solid state, those involving salts of the 4-aminocinnamic acid have been recognized to proceed homogeneously in a "single-crystal-to-single-crystal" fashion by X-ray diffraction techniques. Here the bromide salt of this compound class is taken as a model system in a Raman spectroscopy study at low wavelengths, to understand how such a mechanism defines the trend of the crystal lattice vibrations during the reaction. Vibrational mode calculations, based on dispersion corrected DFT simulations of the crystal lattices involved

SUBMITTER: Giunchi A 

PROVIDER: S-EPMC9325048 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature