Abstract
The magnetic exchange behaviour for μ-hydroxo and μ-acetato double-bridged chromium(III) dimer is investigated based on calculations of density functional theory combined with the broken-symmetry approach. It is demonstrated that there is a magnetic exchange cooperative effect of the two bridging ligands in a double-bridged dimer systems with approximate equal coupling intensity. Meanwhile, the calculated results reveal that the deprotonation of the μ-hydroxo ligand causes a sharp increase of the magnetic exchange interaction between the chromium centers. Replacing either the μ-hydroxo bridging ligand by one water bridging ligand or the μ-acetato bridging ligands by two terminal water ligands produces a relatively reasonable model to examine the contribution on the magnetic exchange interaction of another individual bridging ligand.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
