Ontology highlight
ABSTRACT:
SUBMITTER: Peng CS
PROVIDER: S-EPMC3516185 | biostudies-literature | 2012 Oct
REPOSITORIES: biostudies-literature
The journal of physical chemistry letters 20121001 22
The tautomerism of aromatic heterocycles is of great interest because it directly affects their chemical properties and biological function. The tautomerism of 2-pyridone, 6-chloro-2-pyridone, and 4-pyrimidinone have been examined in D(2)O using FTIR, two-dimensional IR (2D IR) spectroscopy and density functional theory (DFT) calculations. Using the 2D IR cross-peak patterns, the lactim tautomer of 6-chloro-2-pyridone was separated from the lactam tautomer, and its population was observed to inc ...[more]