Related Experiment Video
Updated: Nov 5, 2025
![Protein Film Infrared Electrochemistry Demonstrated for Study of H2 Oxidation by a [NiFe] Hydrogenase](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F55858.jpg&w=3840&q=50)
Protein Film Infrared Electrochemistry Demonstrated for Study of H2 Oxidation by a [NiFe] Hydrogenase
Published on: December 4, 2017
Ionic bond in hydrogen transferring of the ferrous and/or ferric human/mouse verdoheme oxygenase
Hamideh Tasharofi1, Maryam Daghighi Asli2, Parisa Rajabali Jamaat3
1Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran, Iran.
Abstract:
Formation of five coordinated ferric (ferrous) verdoheme oxygenase complexes have been investigated at ωB97X-D/6-31G(d) level of theory. This process was carried out by adsorption of imidazole and human/mouse verdoheme oxygenase (VO) compounds. Global reactivity indexes show electrophile and nucleophile roles of the VO complexes and Imidazole, respectively. This result confirms their interaction, molecular electrostatic potential (MEP) maps, and low HOMOFRVMO-LUMOImidazole gap. These interactions can cause in adsorption and five coordinated of the VO complexes. More negative value (-64.3 kJ mol-1) of adsorption energy (Eads) in the FRVMO complex shows better adsorption strength and stable configuration. Significant point of this interaction is hydrogen transfer from imidazole to the nearest oxygen of the VO complexes; this issue is approved using quantum theory of atom in molecule (QTAIM) and natural bond orbital (NBO) analysis. QTAIM calculations confirm ionic bonding between the transferred hydrogen and the oxygen atom of the VO. The 312.2-kcal mol-1 s order stabilization energies in this complex are confirmation for strong donation and better formation of five coordinated complex in electron view point.
More Related Videos
Related Concept Videos
Hydrogen Bonds
Hydrogen Bonds
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....
Ionic Bonding and Electron Transfer
Metal-Ligand Bonds
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...
Bonding in Metals
Covalent Bonding and Lewis Structures

