Reduced and excited states of the intermediates (α-diimine)(C5R5)Rh in hydride transfer catalysis schemes: EPR and resonance Raman spectroscopy, and comparative DFT calculations of Co, Rh and Ir analogues

2004 ◽  
pp. 3815-3821 ◽  
Author(s):  
Monika Sieger ◽  
Wolfgang Kaim ◽  
Derk J. Stufkens ◽  
Theo L. Snoeck ◽  
Hermann Stoll ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Dft Calculations ◽  
Excited States ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Hydride Transfer

A cryo-generated ferrous–superoxo porphyrin: EPR, resonance Raman and DFT studies

2015 ◽  
Vol 51 (62) ◽  
pp. 12407-12410 ◽  
Author(s):  
Takehiro Ohta ◽  
Jin-Gang Liu ◽  
Perumandla Nagaraju ◽  
Takashi Ogura ◽  
Yoshinori Naruta
Keyword(s):  
Raman Spectroscopy ◽  
Dft Calculations ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Dft Studies ◽  
Heme Enzymes

Cryo-generated ferrous–superoxy heme was studied by EPR, resonance Raman spectroscopy and DFT calculations, providing new insights into the structure–reactivity correlation of O2 activating heme enzymes and catalysts.

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