Investigation of the zero-field splitting in six- and seven-coordinate mononuclear MnII complexes with N/O-based ligands by combining EPR spectroscopy and quantum chemistry

European Journal of Inorganic Chemistry

Volumn , Issue 23, 2010, Pages 3658-3665

  Rich, Jordi ^a,b   Castillo, Carmen E ^a,c   Romero, Isabel ^b   Rodríguez, Montserrat ^b   Duboc, Carole ^a   Collomb, Marie Noëlle ^a  

^a UNIV GRENOBLE ALPES   (France)

^b UNIVERSITY OF GIRONA   (Spain)

^c UNIVERSITY OF CÁDIZ   (Spain)

Author keywords

Density functional calculations; Electronic parameters; EPR spectroscopy; Manganese; Zero field splitting

Indexed keywords

ATOMS; COORDINATION REACTIONS; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC PROPERTIES; HYDROGEN BONDS; MANGANESE COMPOUNDS; QUANTUM CHEMISTRY; TEMPERATURE;

BIPYRIDINES; COMPLEX 1; COORDINATION SPHERE; D VALUES; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRONIC PARAMETERS; EPR SPECTROSCOPY; Q-BAND EPR; X-BAND EPR; ZERO-FIELD SPLITTINGS;

DENSITY FUNCTIONAL THEORY;

EID: 77955975112     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.201000373     Document Type: Article

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