Structural, Spectroscopic, and Computational Studies of [2,2′-bithiophene]-5-carboxylic Acid
Journal of Molecular Structure
Bithiophene, Crystal structure, Spectroscopy, Molecular modeling
The crystal structure of [2,2′-bithiophene]-5-carboxylic acid was obtained from in-situ decarboxylation of [2,2′-bithiophene]-5,5′-dicarboxylic acid during solvothermal treatment. UV–Vis absorption and fluorescence spectroscopies were conducted in solution and solid-state on these two molecules as well as the precursor, 2,2′-bithiophene. These molecules were modeled using DFT level of theory to explain the observed structural features and spectroscopy.
Einkauf, J. D., Mathivathanan, L., & de Lill, D. T. (2016). Structural, Spectroscopic, and Computational Studies of [2,2′-bithiophene]-5-carboxylic Acid. Journal of Molecular Structure, 1104, 33 - 39. https://doi.org/10.1016/j.molstruc.2015.10.004. Retrieved from https://nsuworks.nova.edu/cnso_chemphys_facarticles/243