Correlation between C═O Stretching Vibrational Frequency and p<i>K</i><sub>a</sub> Shift of Carboxylic Acids
Keisuke Saito, Tianyang Xu, Hiroshi Ishikita
Abstract
on a key Asp85 in the proton-transfer pathway of bacteriorhodopsin.
Topics & Concepts
ChemistryProtonationBenzoic acidCarboxylic acidAspartic acidStereochemistryProtonHydrogen bondAmino acidComputational chemistryMoleculeOrganic chemistryIonBiochemistryPhysicsQuantum mechanicsPhotoreceptor and optogenetics researchSpectroscopy and Quantum Chemical StudiesPhotosynthetic Processes and Mechanisms