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The Role of Coulomb Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand
The Role of Coulomb Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand
- Source :
- Crystals; Volume 6; Issue 5; Pages: 49, Crystals, Vol 6, Iss 5, p 49 (2016)
- Publication Year :
- 2016
- Publisher :
- MDPI, 2016.
-
Abstract
- To investigate the π-extension effect on an unusual negative-charged spin crossover (SCO) FeIII complex with a weak N2O4 first coordination sphere, we designed and synthesized a series of anionic FeIII complexes from a π-extended naphthalene derivative ligand. Acetonitrile-solvate tetramethylammonium (TMA) salt 1 exhibited an SCO conversion, while acetone-solvate TMA salt 2 was in a high-spin state. The crystal structural analysis for 2 revealed that two-leg ladder-like cation-anion arrays derived from π-stacking interactions between π-ligands of the FeIII complex anion and Coulomb interactions were found and the solvated acetone molecules were in one-dimensional channels between the cation-anion arrays. A desolvation-induced single-crystal-to-single-crystal transformation to desolvate compound 2’ may be driven by Coulomb energy gain. Furthermore, the structural comparison between quasi-polymorphic compounds 1 and 2 revealed that the synergy between Coulomb and π-stacking interactions induces a significant distortion of coordination structure of 2.
- Subjects :
- crystal structural transformation
Coordination sphere
General Chemical Engineering
010402 general chemistry
01 natural sciences
Inorganic Chemistry
Crystal
chemistry.chemical_compound
spin crossover
Computational chemistry
Spin crossover
Coulomb
lcsh:QD901-999
Molecule
General Materials Science
Coulomb interaction
π-stacking interaction
mononuclear Fe(III) complex
anionic complex
ONO tridentate ligand
Tetramethylammonium
010405 organic chemistry
Ligand
Electric potential energy
Condensed Matter Physics
0104 chemical sciences
Crystallography
chemistry
lcsh:Crystallography
Subjects
Details
- Language :
- English
- ISSN :
- 20734352
- Volume :
- 6
- Issue :
- 5
- Database :
- OpenAIRE
- Journal :
- Crystals
- Accession number :
- edsair.doi.dedup.....23df6f4e7f0c1b03d7334ce0b5d22bfe