Topological and electronic influences on magnetic exchange coupling in Fe(III) ethynylbenzene dendritic building blocks

Journal of the American Chemical Society

Volumn 133, Issue 51, 2011, Pages 20823-20836

  Hoffert, Wesley A ^a   Rappé, Anthony K ^a   Shores, Matthew P ^a  

^a Department of Environmental and Radiological Health Sciences   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1 ,3 ,5-TRIETHYNYLBENZENE; A-DENSITY; ALKYNYL LIGANDS; ANTIFERROMAGNETIC COUPLING; BUILDING BLOCKES; COMPUTATIONAL INVESTIGATION; COORDINATION ENVIRONMENT; COUPLING PARAMETERS; ELECTROCHEMICAL BEHAVIORS; ELECTRONIC INFLUENCE; ETHYNYLBENZENE; EXPERIMENTAL VALUES; FERROMAGNETIC COUPLING; HIGH-SPIN GROUND STATE; HYBRID DFT; J VALUE; LINEAR COMBINATIONS; MAGNETIC EXCHANGE; MAGNETIC EXCHANGE COUPLING; MAGNETOSTRUCTURAL RELATIONSHIP; METALLODENDRIMERS; PARAMAGNETIC SYSTEMS; PARAMAGNETIC TRANSITION; ROTAMERS; SPIN CENTERS; TETRAKIS; TRIFLUOROMETHYL;

ANTIFERROMAGNETISM; BENZENE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL PROPERTIES; ETHANE; EXCHANGE COUPLING; GROUND STATE; IRON COMPOUNDS; LIGANDS; PARAMAGNETIC MATERIALS; PARAMAGNETISM; TOPOLOGY; TRANSITION METALS;

CHLORINE COMPOUNDS;

FERROMAGNETIC MATERIAL; IRON COMPLEX; IRON DERIVATIVE; IRON III; LIGAND; PHENYLACETYLENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CROSS COUPLING REACTION; CRYSTALLOGRAPHY; CYCLIC POTENTIOMETRY; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL ANALYSIS; MAGNETIC FIELD; MAGNETISM; SYNTHESIS;

EID: 84555178124     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja206735y     Document Type: Article

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