Exceptional excited-state lifetime of an iron(II)- N -heterocyclic carbene complex explained

Journal of Physical Chemistry Letters

Volumn 5, Issue 12, 2014, Pages 2066-2071

  Fredin, Lisa A ^a   Pápai, Mátyás ^b   Rozsályi, Emese ^b   Vankó, György ^b   Wärnmark, Kenneth ^a   Sundström, Villy ^a   Persson, Petter ^a  

^a LUND UNIVERSITY   (Sweden)

^b INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

density functional theory; excited state dynamics; N heterocyclic carbene; potential energy surfaces

Indexed keywords

DENSITY FUNCTIONAL THEORY; EXCITED STATES; IRON COMPOUNDS; METAL COMPLEXES; ORGANIC COMPOUNDS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SOLAR CELLS;

CARBENES; DYE-SENSITIZED SOLAR CELL; ENERGY LEVEL STRUCTURES; EXCITED-STATE DYNAMICS; EXCITED-STATE LIFETIME; HETEROCYCLIC CARBENE COMPLEXES; TD-DFT CALCULATIONS; TRANSITION-METAL COMPLEX;

SYNTHESIS (CHEMICAL);

EID: 84903216322     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz500829w     Document Type: Article

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