Article ID Journal Published Year Pages File Type
5384836 Chemical Physics Letters 2011 8 Pages PDF
Abstract
► Topological analysis of ρ and ELF function for the Fe-TAML activators was performed. ► The protonation sites on the terminal oxygen atoms were found. ► Intramolecular hydrogen bonds and weak interactions were found. ► Properties of F substituent do not fully explain observed H+-tolerance of Fe-TAML.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
AIM and ELF analysis of the H-, Me-, and F-substituted FeIII-TAML complexes
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