Stabilization of high-valent feivs6-cores by dithiocarbamate(1-) and 1, 2-dithiolate(2-) ligands in octahedral [fe iv(et2dtc)3-n(mnt)n]( n-1)-complexes (n = 0, 1, 2, 3): a spectroscopic and density functional theory computational study

Chemistry - A European Journal

Volumn 16, Issue 12, 2010, Pages 3628-3645

  Milsmann, Carsten ^a   Sproules, Stephen ^a   Bill, Eckhard ^a   Weyhermüller, Thomas ^a,b   Debeer George, Serena ^b   Wieghardt, Karl ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b Department of Obstetrics Gynecology   (United States)

Author keywords

Density functional calculations; Dithiolenes; High valent iron; S ligands; X ray absorption spectroscopy

Indexed keywords

1 ,4 ,8 ,11-TETRAAZACYCLOTETRADECANE; COMPUTATIONAL RESULTS; COMPUTATIONAL STUDIES; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; DITHIOCARBAMATES; DITHIOLATES; FERRIC IONS; HIGH-VALENT IRONS; INTERMEDIATE SPINS; LATTER COMPLEXES; LIGAND-FIELD; MAGNETIC SUSCEPTIBILITY MEASUREMENTS; OCTAHEDRAL COMPLEX; QUANTUM CHEMICAL ANALYSIS; S LIGANDS; SPECTROSCOPIC DATA; SPIN GROUND STATE; SSBAUER SPECTROSCOPY; STRUCTURAL FEATURE;

ABSORPTION; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LIGANDS; MAGNETIC SUSCEPTIBILITY; MINERALOGY; MOLYBDENUM; SELF ASSEMBLY; SPECTROSCOPIC ANALYSIS; SPIN DYNAMICS; SULFUR COMPOUNDS; X RAY ABSORPTION; X RAY ABSORPTION SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

ABSORPTION SPECTROSCOPY;

COORDINATION COMPOUND; IRON; LIGAND; MALEINITRILEDITHIOLATE; THIOL DERIVATIVE;

ARTICLE; CHEMISTRY; CONFORMATION; ELECTROCHEMICAL ANALYSIS; ELECTRON SPIN RESONANCE; MOSSBAUER SPECTROSCOPY; OXIDATION REDUCTION REACTION; X RAY ABSORPTION SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

COORDINATION COMPLEXES; CRYSTALLOGRAPHY, X-RAY; ELECTROCHEMICAL TECHNIQUES; ELECTRON SPIN RESONANCE SPECTROSCOPY; IRON; LIGANDS; MOLECULAR CONFORMATION; OXIDATION-REDUCTION; SPECTROSCOPY, MOSSBAUER; SULFHYDRYL COMPOUNDS; X-RAY ABSORPTION SPECTROSCOPY;

EID: 77949685025     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200903381     Document Type: Article

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