Electronic structure and absorption spectra of biferrocenyl and bisfulvalenide diiron radical cations: Detection and assignment of new low-energy transitions

Chemistry - A European Journal

Volumn 15, Issue 7, 2009, Pages 1604-1617

  Warratz, Ralf ^a   Aboulfadl, Hanane ^b   Bally, Thomas ^b   Tuczek, Felix ^a  

^a UNIVERSITY OF KIEL   (Germany)

^b UNIVERSITY OF FRIBOURG   (Switzerland)

Author keywords

Electronic structure; Iron; Mixed valent compounds; Optical absorption spectroscopy; Radical ions

Indexed keywords

ABSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INFRARED DEVICES; LIGHT ABSORPTION; MOLECULAR ORBITALS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SOLID SOLUTIONS; SPECTRUM ANALYSIS; SULFUR COMPOUNDS;

BASIS SETS; BP86 FUNCTIONALS; DFT CALCULATIONS; ELECTRONIC ABSORPTION SPECTRUM; INTERVALENCE CHARGE TRANSFERS; IRON CENTERS; LOCALIZATION/DELOCALIZATION; LOW ENERGIES; MATRIX ISOLATIONS; MIXED-VALENT; MIXED-VALENT COMPOUNDS; MOLECULAR-ORBITAL SCHEMES; OPTICAL ABSORPTION SPECTROSCOPY; ORBITALS; RADICAL CATIONS; RADICAL IONS; THEORETICAL RESULTS; TRIIODIDE;

ABSORPTION SPECTROSCOPY;

EID: 60749089642     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200801054     Document Type: Article

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