Article ID Journal Published Year Pages File Type
5395012 Computational and Theoretical Chemistry 2011 6 Pages PDF
Abstract
► Naphthazarin has two intramolecular hydrogen bond. ► Chlorine substitutions change hydrogen bond strength. ► DFT and NBO calculations predict the hydrogen bond strength. ► Steric and electron-withdrawing effects are responsible for these changes.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Calculation of intramolecular hydrogen bonding strength and natural bond orbital (NBO) analysis of naphthazarin with chlorine substitution
Authors
, ,