AUTHOR=Balónová Barbora , Blight Barry A. 

TITLE=Elucidation of Charge Contribution in Iridium-Chelated Hydrogen-Bonding Systems

JOURNAL=Frontiers in Chemistry

VOLUME=9

YEAR=2021

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2021.712698

DOI=10.3389/fchem.2021.712698

ISSN=2296-2646

ABSTRACT=<p>We present two iridium complexes <bold>1H</bold><sup><bold>+</bold></sup> and <bold>2H</bold><sup><bold>+</bold></sup> that contain cationic ligands to extend the knowledge of charge-assisted hydrogen bonding (CAHB), which counts among the strongest non-covalent bonding interactions. Upon protonation, both complexes were converted into new hydrogen-bonding arrays with various selectivity for respective H-bonding partners. This study compares the association strengths of four hydrogen-bonding co-systems, emphasizing the roles of CAHB in supramolecular systems. We determined that the cationic charge in these systems contributed up to 2.7 kJ mol<sup>−1</sup> in the H-bonding complexation processes.</p>