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Ligand Design for Site‐Selective Metal Coordination: Synthesis of Transition‐Metal Complexes with η^6^‐Coordination of the Central Ring of Anthracene by Eduard E. Karslyan; Alexandra O. Borissova; Dmitry S. Perekalin is a Chemistry article available to read on EtoBox.

What is Ligand Design for Site‐Selective Metal Coordination: Synthesis of Transition‐Metal Complexes with η^6^‐Coordination of the Central Ring of Anthracene about?

## Abstract A polycyclic aromatic ligand for site‐selective metal coordination was designed by using DFT calculations. The computational prediction was confirmed by experiments: 2,3,6,7‐tetramethoxy‐9,10‐dimethylanthracene initially reacts with [(C~5~H~5~)Ru(MeCN)~3~]BF~4~ to give the kinetic product with a [(C~5~H~5~)Ru]^+^ fragment coordinated at the terminal ring, which is then transformed into the thermodynamic product with coordination through the central ring. These isomeric complexes have markedly different UV/Vis spectra, which was explained by analysis of the frontier orbitals. At the same time, the calculations suggest that electrostatic interactions are mainly responsible for the site selectivity of the coordination.

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Author

Eduard E. Karslyan; Alexandra O. Borissova; Dmitry S. Perekalin

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley; Research Square (ISSN 0044-8249)

Published

2017

Language

EN

Field

Chemistry (Physical Sciences)