From Fenton Reagent To Oxidants Fe IVO 2H

From Fenton Reagent To Oxidants ② ② ③ Fe. IV(=O 2−)(H 2 O)5 + H 2 O ΔEgas = − 34 kcal/mol [1] ④ ③ Fe. III(OH−)(H 2 O)5 + HO・ ① Fe. IV(OH−)2(H 2 O)4 + H 2 O ΔEgas = − 29 kcal/mol [1] E. J. Baerends, et al. , PCCP, 4, 3619 (2002)

From Fenton Reagent To Oxidants 2+ → [Fe. III(OH)(H O) ]2+ + HO･ ①　[Fe. IIFenton (H 2 O)reagent 5(H 2 O 2)] 2 5 hydroxyl radical ②　[Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. IVO(H 2 O)5]2+ + H 2 O Fenton reagent ferryl-oxo complex ③　[Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. IV(OH)2(H 2 O)4]2+ + H 2 O Fenton reagent dihydroxyl complex ④　[Fe. IV(OH)2(H 2 O)4]2+ → [Fe. IVO(H 2 O)5]2+ dihydroxyl complex ferryl-oxo complex

Fenton Reaction ① [Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. III(OH)(H 2 O)5]2+ + HO･

Fenton Reaction ① [Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. III(OH)(H 2 O)5]2+ + HO･

Fenton Reaction ② [Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. IVO(H 2 O)5]2+ + H 2 O

Fenton Reaction ② [Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. IVO(H 2 O)5]2+ + H 2 O

Fenton Reaction ③ [Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. IV(OH)2(H 2 O)4]2+ + H 2 O

Fenton Reaction ③ [Fe. II(H 2 O)5(H 2 O 2)]2+ → [Fe. IV(OH)2(H 2 O)4]2+ + H 2 O

Fenton Reaction ④ [Fe. IV(OH)2(H 2 O)4]2+ → [Fe. IVO(H 2 O)5]2+

Fenton Reaction ④ [Fe. IV(OH)2(H 2 O)4]2+ → [Fe. IVO(H 2 O)5]2+

k. PCA Analysis: Reaction Network Fe. IV (OH)2(H 2 O)4 Fe. II(H 2 O)5(H 2 O 2) Fe. IV (=O)(H 2 O)5

3 b 2 b 3 c 2 c

Shortcut Paths [Fe. III(OH)(H 2 O)5]2+ + HO･ (3 b → 2 b)

Shortcut Paths