4.7 Article

Strong stacking interactions of metal-chelate rings are caused by substantial electrostatic component

Journal

DALTON TRANSACTIONS
Volume 48, Issue 19, Pages 6328-6332

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c9dt00182d

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Funding

  1. Ministry of Science, Education and Technological Development of the Republic of Serbia [172065]
  2. Qatar Foundation for Education, Science and Community Development

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Symmetry Adapted Perturbation Theory (SAPT) analysis shows that stacking interactions of metal-chelate rings are stronger than stacking interactions of organic molecules due to much stronger electrostatic interactions caused by the presence of metals. Depending on the ligand, electrostatic component of chelate stacking can be stronger than dispersion component.

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