Modeling spin interactions in a cyclic trimer and a cuboidal Co 4O4 core with Co(II) in tetrahedral and octahedral environments

John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang

doi:10.1021/ja044185b

Modeling spin interactions in a cyclic trimer and a cuboidal Co ₄O₄ core with Co(II) in tetrahedral and octahedral environments

John F. Berry, F. Albert Cotton, Chun Y. Liu, Tongbu Lu, Carlos A. Murillo, Boris S. Tsukerblat, Dino Villagrán, Xiaoping Wang

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Abstract

The X-ray crystallographic structures, the magnetic susceptibilities from 2 to 300 K, and a theoretical analysis of the magnetism for a triangular and a tetranuclear molecule consisting of linked high-spin cobalt(II) centers are described. The interpretation of the magnetic data for the triangular compound [Co(depa)Cl]₃ (depa is the anion of 2,2′-(bis-4-ethylpyridyl) amine), which has tetrahedrally coordinated Co²⁺ ions, entails isotropic antiferromagnetic exchange interaction and antisymmetric exchange acting within the two low-lying spin doublets. Two strong isotropic ferromagnetic interactions have been modeled in the cuboidal compound Co ₄(DPM)₄(CH₃O)₄(CH ₃OH)₄ (DPM represents the anion of dipivaloylmethane), which has octahedral coordination, and the system can be approximately considered as two weakly coupled S = 3 species.

Original language	English
Pages (from-to)	4895-4902
Number of pages	8
Journal	Journal of the American Chemical Society
Volume	127
Issue number	13
DOIs	https://doi.org/10.1021/ja044185b
State	Published - Apr 6 2005
Externally published	Yes

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title = "Modeling spin interactions in a cyclic trimer and a cuboidal Co 4O4 core with Co(II) in tetrahedral and octahedral environments",

abstract = "The X-ray crystallographic structures, the magnetic susceptibilities from 2 to 300 K, and a theoretical analysis of the magnetism for a triangular and a tetranuclear molecule consisting of linked high-spin cobalt(II) centers are described. The interpretation of the magnetic data for the triangular compound [Co(depa)Cl]3 (depa is the anion of 2,2′-(bis-4-ethylpyridyl) amine), which has tetrahedrally coordinated Co2+ ions, entails isotropic antiferromagnetic exchange interaction and antisymmetric exchange acting within the two low-lying spin doublets. Two strong isotropic ferromagnetic interactions have been modeled in the cuboidal compound Co 4(DPM)4(CH3O)4(CH 3OH)4 (DPM represents the anion of dipivaloylmethane), which has octahedral coordination, and the system can be approximately considered as two weakly coupled S = 3 species.",

author = "Berry, {John F.} and Cotton, {F. Albert} and Liu, {Chun Y.} and Tongbu Lu and Murillo, {Carlos A.} and Tsukerblat, {Boris S.} and Dino Villagr{\'a}n and Xiaoping Wang",

year = "2005",

month = apr,

day = "6",

doi = "10.1021/ja044185b",

language = "English",

volume = "127",

pages = "4895--4902",

journal = "Journal of the American Chemical Society",

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TY - JOUR

T1 - Modeling spin interactions in a cyclic trimer and a cuboidal Co 4O4 core with Co(II) in tetrahedral and octahedral environments

AU - Berry, John F.

AU - Cotton, F. Albert

AU - Liu, Chun Y.

AU - Lu, Tongbu

AU - Murillo, Carlos A.

AU - Tsukerblat, Boris S.

AU - Villagrán, Dino

AU - Wang, Xiaoping

PY - 2005/4/6

Y1 - 2005/4/6

N2 - The X-ray crystallographic structures, the magnetic susceptibilities from 2 to 300 K, and a theoretical analysis of the magnetism for a triangular and a tetranuclear molecule consisting of linked high-spin cobalt(II) centers are described. The interpretation of the magnetic data for the triangular compound [Co(depa)Cl]3 (depa is the anion of 2,2′-(bis-4-ethylpyridyl) amine), which has tetrahedrally coordinated Co2+ ions, entails isotropic antiferromagnetic exchange interaction and antisymmetric exchange acting within the two low-lying spin doublets. Two strong isotropic ferromagnetic interactions have been modeled in the cuboidal compound Co 4(DPM)4(CH3O)4(CH 3OH)4 (DPM represents the anion of dipivaloylmethane), which has octahedral coordination, and the system can be approximately considered as two weakly coupled S = 3 species.

AB - The X-ray crystallographic structures, the magnetic susceptibilities from 2 to 300 K, and a theoretical analysis of the magnetism for a triangular and a tetranuclear molecule consisting of linked high-spin cobalt(II) centers are described. The interpretation of the magnetic data for the triangular compound [Co(depa)Cl]3 (depa is the anion of 2,2′-(bis-4-ethylpyridyl) amine), which has tetrahedrally coordinated Co2+ ions, entails isotropic antiferromagnetic exchange interaction and antisymmetric exchange acting within the two low-lying spin doublets. Two strong isotropic ferromagnetic interactions have been modeled in the cuboidal compound Co 4(DPM)4(CH3O)4(CH 3OH)4 (DPM represents the anion of dipivaloylmethane), which has octahedral coordination, and the system can be approximately considered as two weakly coupled S = 3 species.

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SN - 0002-7863

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 13

ER -

Modeling spin interactions in a cyclic trimer and a cuboidal Co ₄O₄ core with Co(II) in tetrahedral and octahedral environments

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