The structural manipulation of a series of Ni4 defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses

Sidney S. Woodhouse, Tyson N. Dais, Emily H. Payne, Mukesh K. Singh, Euan K. Brechin, Paul G. Plieger

Research output: Contribution to journalArticlepeer-review

Abstract

We report the synthesis and characterization of four new tetranuclear Ni(II) complexes, C1–C4, all of which exhibit defective dicubane cores. C1–C4 are derived from the same salicylaldoxime derived ligand, H2L1. Complexes C1 and C4 have isostructural cores, differing in structure only by solvate molecules. Magnetic and computational analyses have revealed that complexes C1, C2, and C4 exhibit competing ferro- and antiferromagnetic interactions, however the different solvated species in C1 and C4 leads to notably different magnitudes in their magnetic coupling constants. Theoretical magneto-structural studies show that the pairwise magnetic exchange interaction is highly dependent on the Ni–X–Ni angle, as revealed by orbital overlap calculations.
Original languageEnglish
Article number50
Pages (from-to)5318-5326
JournalDalton Transactions
Volume2021
Issue number15
Early online date25 Mar 2021
DOIs
Publication statusE-pub ahead of print - 25 Mar 2021

Fingerprint

Dive into the research topics of 'The structural manipulation of a series of Ni<sub>4</sub> defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses'. Together they form a unique fingerprint.

Cite this