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2 results on '"ONO tridentate ligand"'

1. 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.

Author

Suguru Murata, Kazuyuki Takahashi, Takahiro Sakurai, Hitoshi Ohta, Takashi Yamamoto, Yasuaki Einaga, Yoshihito Shiota, and Kazunari Yoshizawa

Subjects
COULOMB functions, SPIN crossover, CRYSTAL structure
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. [ABSTRACT FROM AUTHOR]

Published
2016
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2. 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

Author

Yasuaki Einaga, Takashi Yamamoto, Kazuyuki Takahashi, Takahiro Sakurai, Yoshihito Shiota, Hitoshi Ohta, Kazunari Yoshizawa, and Suguru Murata

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
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.

Published
2016

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