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Cation-anion interactions are weak; with Coulombic and dispersion forces predominating, anion-π structures are favored, while significant hydrogen bonding does not occur. Anion to cation charge transfer is minimal, but mutual polarization is significant, leading to local positive regions in the anion electrostatic potential surface. The key features of experimental x-ray photoelectron, UV-Vis spectra, and Raman spectra are reproduced, validating the computational results and facilitating rationalization of key features.Three-dimensiona