Tetracoordinate Co(<scp>ii</scp>) complexes with semi-coordination as stable single-ion magnets for deposition on graphene

Giraldo, Jorge Navarro; Hrubý, Jakub; Vavrečková, Šárka; Fellner, Ondřej F.; Havlíček, Lubomír; Henry, DaVonne; de Silva, Shehan; Herchel, Radovan; Bartoš, Miroslav; Šalitroš, Ivan; Santana, Vinicius T.; Barbara, Paola; Nemec, Ivan; Neugebauer, Petr

doi:10.1039/d3cp01426f

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp01426f

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Tetracoordinate Co(ii) complexes with semi-coordination as stable single-ion magnets for deposition on graphene

Jorge Navarro Giraldo,

Jakub Hrubý,

Šárka Vavrečková

et al.

Abstract: We present a theoretical and experimental study of two tetracoordinate Co(II)-based complexes with semi-coordination interactions, i.e., non-covalent interactions involving the central atom. We argue that such interactions enhance the thermal...

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2024

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Cited by 4 publications

References 115 publications

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From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study

Siddiqui,

Burguera,

de las Nieves Piña

et al. 2024

Angewandte Chemie

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Herein we have evidenced the formation of favorable π‐hole Br···metal noncovalent interactions (NCIs) involving elements from groups 9, 11 and 12. More in detail, M (M = Co2+, Ni2+, Cu2+ and Zn2+) containing porphyrins have been synthesized and their supramolecular assemblies structurally characterized by means of single crystal X‐ray diffraction and Hirshfeld surface analyses, revealing the formation of directional Br···M contacts in addition to ancillary hydrogen bond and lone pair‐π bonds. Computations at the PBE0‐D3/def2‐TZVP level of theory revealed the π‐hole nature of the Br···M interaction. In addition, the physical nature of these NCIs was studied using Quantum Chemistry methodologies, providing evidence of π‐hole Spodium and Regium bonds in Zn2+ and Cu2+ porphyrins, in addition to unveiling the presence of a π‐hole for group 9 (Co2+). On the other hand, group 10 (Ni2+) acted as both electron donor and acceptor moiety without showing an electropositive π‐hole. Owing to the underexplored potential of π‐hole interactions in transition metal chemistry, we believe the results reported herein will be useful in supramolecular chemistry, organometallics, and solid‐state chemistry by i) putting under the spotlight the π‐hole chemistry involving first row transition metals and ii) unlocking a new tool to direct the self‐assembly of metalloporphyrins.

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From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study

Siddiqui,

Burguera,

de las Nieves Piña

et al. 2024

Angewandte Chemie

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From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study

Siddiqui,

Burguera,

de las Nieves Piña

et al. 2024

Angew Chem Int Ed

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Levamisole Based Co(II) Single‐Ion Magnet

Biswas,

Havlicek,

Nemec

et al. 2024

Chemistry An Asian Journal

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A new Co(II) complex, [Co(NCS)2(L)2] (1) has been synthesized based on levamisole (L) as a new ligand. Single‐crystal X‐ray diffraction analyses confirm that the Co(II) ion is having a distorted tetrahedral coordination geometry in the complex. Notably strong intramolecular S∙∙∙S and S∙∙∙N interactions has been confirmed by employing Quantum Theory of Atoms in Molecules (QTAIM). These intramolecular interactions occur among the sulfur and nitrogen atoms of the levamisole ligands and also the nitrogen atoms of the thiocyanate. Direct current (dc) magnetic analyses reveal presence of zero field splitting (ZFS) and large magnetic anisotropy on Co(II). Detailed ab initio ligand field theory calculations quantitatively predicted the magnitude of ZFS. Prominent field‐induced single‐ion magnet (SIM) behavior was observed for 1 from dynamic magnetization measurements. Slow magnetic relaxation follows an Orbach mechanism with the effective energy barrier Ueff = 29.6 (7) K and relaxation time to = 1.4 (4) × 10−9 s.

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Tetracoordinate Co(ii) complexes with semi-coordination as stable single-ion magnets for deposition on graphene

Abstract: We present a theoretical and experimental study of two tetracoordinate Co(II)-based complexes with semi-coordination interactions, i.e., non-covalent interactions involving the central atom. We argue that such interactions enhance the thermal...

Cited by 4 publications

References 115 publications

From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study

From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study

From Coordination to π‐Hole Chemistry of Transition Metals: Metalloporphyrins as a Case of Study

Levamisole Based Co(II) Single‐Ion Magnet

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