Accelerating the concerted double proton transfer process of 2,2′-bipyridine-3,3′-diol-5,5′-dicarboxylate acid ethyl ester (BPDC) molecule by centrosymmetric dual intermolecular hydrogen bonds
Jiaan Gao, Hongyan Mu, Zhen Qi, Xiaotong Guan, Hui Li
Topics & Concepts
ChemistryHydrogen bondIntramolecular forceMoleculeIntermolecular forceDensity functional theoryCyclohexaneTime-dependent density functional theorySolventComputational chemistryCrystallographyPhysical chemistryPhotochemistryStereochemistryOrganic chemistryPhotochemistry and Electron Transfer StudiesFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical Studies