BIOMECHANICS, BIOENGINEERING AND MATHEMATICAL BIOLOGY Seminar

PROGRAM

Predavanja možete pratiti i online putem MITEAM stranice Seminara iz Biomehanike, bioinžinjeringa i matematičke biologije: https://miteam.mi.sanu.ac.rs/asset/pkPCEADMcffpGhjaQ

Plan rada Seminara iz Biomehanike, bioinžinjeringa i matematičke biologije za NOVEMBAR 2026.

Ponedeljak, 09.11.2026. u 16:00, Kneza Mihaila 36, sala 301f i Online
Jelena M. Živković, Innovation center, Department of General and Inorganic Chemistry, Beograd, Serbia
HYDROGEN BONDING IN THE SECOND COORDINATION SPHERE OF METAL COMPLEXES
Hydrogen bonds in the second coordination sphere of metal complexes play an important role in determining the structure, stability, and reactivity of coordination compounds. This lecture will present an overview of hydrogen-bonding interactions involving coordinated ligands, with particular emphasis on water, ammonia, and other systems acting as hydrogen-bond donors or acceptors. By combining crystallographic data from the Cambridge Structural Database (CSD) with quantum chemical calculations, the geometric preferences, interaction energies, and factors governing hydrogen-bond strength have been systematically investigated. Particular attention will be given to the influence of metal coordination on the electronic properties of ligands and their hydrogen-bond donor and acceptor abilities. The results demonstrate that coordination to a metal center generally enhances the hydrogen-bond donor ability of ligands while reducing their acceptor ability. These effects are closely related to the oxidation state and coordination number of the metal center, with their ratio (OS/CN) emerging as a simple and useful descriptor for predicting hydrogen-bond strength. The lecture will also highlight the relationship between hydrogen-bond energies and electrostatic potentials, as well as insights obtained from symmetry-adapted perturbation theory (SAPT), which identifies electrostatic interactions as the dominant stabilizing contribution in the investigated systems. Overall, the presented findings provide a framework for understanding hydrogen bonding in the second coordination sphere of metal complexes and offer valuable insights for the rational design of coordination compounds with potential applications in catalysis, supramolecular chemistry, and materials science.