Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C–H bond oxidation by high-valent iron-oxo and -nitrido complexes

2014 ◽  
Vol 43 (16) ◽  
pp. 6079 ◽  
Author(s):  
Caiyun Geng ◽  
Shengfa Ye ◽  
Frank Neese
Keyword(s):  
Oxidation State ◽  
Computational Study ◽  
Atom Transfer ◽  
Metal Oxidation ◽  
Nitrido Complexes ◽  
High Valent

scholarly journals Two-Dimensional, Hierarchical Ag-Doped TiO2 Nanocatalysts: Effect of the Metal Oxidation State on the Photocatalytic Properties

ACS Omega ◽  
2018 ◽  
Vol 3 (3) ◽  
pp. 2579-2587 ◽  
Author(s):  
Siti Khatijah Md Saad ◽  
Akrajas Ali Umar ◽  
Marjoni Imamora Ali Umar ◽  
Masahiko Tomitori ◽  
Mohd. Yusri Abd. Rahman ◽  
...  
Keyword(s):  
Oxidation State ◽  
Photocatalytic Properties ◽  
Two Dimensional ◽  
Metal Oxidation ◽  
Doped Tio2

Synthesis and characterisation of transition metal substituted barium hollandite ceramics

2006 ◽  
Vol 932 ◽  
Author(s):  
Neil C. Hyatt ◽  
Martin C. Stennett ◽  
Steven G. Fiddy ◽  
Jayne S. Wellings ◽  
Sian S. Dutton ◽  
...  
Keyword(s):  
Transition Metal ◽  
Oxidation State ◽  
Powder Diffraction ◽  
Single Phase ◽  
Maximum Density ◽  
Processing Conditions ◽  
Metal Oxidation ◽  
Exafs Data ◽  
X Ray ◽  
Oxygen Atoms

ABSTRACTA range of transition metal bearing hollandite phases, formulated Ba1.2B1.2Ti6.8O16 (B2+ = Mg, Co, Ni, Zn, Mn) and Ba1.2B2.4Ti5.6O16 (B3+ = Al, Cr, Fe) were prepared using an alkoxide - nitrate route. X-ray powder diffraction demonstrated the synthesis of single phase materials for all compositions except B = Mn. The processing conditions required to produce > 95 % dense ceramics were determined for all compositions, except B = Mg for which the maximum density obtained was > 93 %. Analysis of transition metal K-edge XANES data confirmed the presence of the targeted transition metal oxidation state for all compositions except B = Mn, where the overall oxidation state was found to be Mn3+. The K-edge EXAFS data of Ba1.2B1.2Ti6.8O16 (B = Ni and Co) were successfully analysed using a crystallographic model of the hollandite structure, with six oxygen atoms present in the first co-ordination shell at a distance of ca. 2.02Å. Analysis of Fe K-edge EXAFS data of Ba1.2B2.4Ti5.4O16 revealed a reduced co-ordination shell of five oxygens at ca. 1.99Å.

High-Valent Iron-Oxo and -Nitrido Complexes: Bonding and Reactivity

2016 ◽  
Vol 56 (9-10) ◽  
pp. 763-772 ◽  
Author(s):  
Bhaskar Mondal ◽  
Lisa Roy ◽  
Frank Neese ◽  
Shengfa Ye
Keyword(s):  
Nitrido Complexes ◽  
High Valent
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