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Related Concept Videos

Metal-Ligand Bonds02:51

Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared.
Bonding in Metals02:32

Bonding in Metals

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...

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Related Experiment Video

Updated: May 12, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

How are hydrogen bonds modified by metal binding?

Charlotte Husberg1, Ulf Ryde

  • 1Department of Theoretical Chemistry, Chemical Centre, Lund University, P.O. Box 124, 221 00 Lund, Sweden.

Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|April 2, 2013
PubMed
Summary
This summary is machine-generated.

Metal complex charge significantly alters hydrogen bonds. Neutral ligands strengthen bonds, while charged ligands weaken them, with effects reduced in solution. This impacts metalloprotein function.

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Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
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Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange

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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
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Published on: June 23, 2023

Area of Science:

  • Computational Chemistry
  • Biophysical Chemistry
  • Inorganic Chemistry

Background:

  • Hydrogen bonds are crucial in biological systems, especially in metalloproteins.
  • Understanding how metal coordination influences hydrogen bonding is key to metalloprotein function.
  • Previous studies have not comprehensively explored the impact of metal complex properties on hydrogen bond strength.

Purpose of the Study:

  • To investigate the modification of hydrogen bond strength upon metal-ligand binding.
  • To analyze the influence of metal type, oxidation state, and coordination environment on hydrogen bond energy.
  • To determine the role of ligand charge and solvation on hydrogen bond modulation in metalloprotein models.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • Over 60 model systems featuring six metals and eight common ligands were studied.
  • Systematic variation of metal properties, ligand characteristics, and solvation effects was performed.

Main Results:

  • Hydrogen bond strength generally increases for neutral ligands and decreases for negatively charged ligands bound to metals.
  • The net charge of the metal complex is the primary determinant of the hydrogen bond strength modification.
  • Solvation, particularly in water, significantly reduces the magnitude of these effects, with specific behaviors for sulfur-containing and redox-active ligands.

Conclusions:

  • Metal complex charge is a critical factor governing hydrogen bond strength modulation.
  • Ligand charge and the presence of solvation are essential considerations in predicting hydrogen bond behavior.
  • These findings provide insights into the intricate interplay between metal ions, ligands, and non-covalent interactions in metalloproteins.