Metal-metal multiple bond in low-valent diuranium porphyrazines and its correlation with metal oxidation state: A relativistic DFT study

The use of dad (and bian) ligands in the stabilization of main-group complexes, in particular metal–metal-bonded compounds, as well as the small molecule reactivity of these (low-valent) metal complexes, is summarized.

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Pacman-Like Alkaliated Actinyl Complexes of a Polypyrrolic Macrocycle: A Relativistic DFT Study

ChemistrySelect ◽

10.1002/slct.201700391 ◽

2017 ◽

Vol 2 (23) ◽

pp. 6801-6810 ◽

Cited By ~ 3

Author(s):

Yan-Ting Bi ◽

Yu-Xi Zhong ◽

Bai-Bin Zhou ◽

Qing-Jiang Pan

Keyword(s):

Dft Study ◽

Relativistic Dft

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

ACS Omega ◽

10.1021/acsomega.8b00109 ◽

2018 ◽

Vol 3 (3) ◽

pp. 2579-2587 ◽

Cited By ~ 29

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

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Synthesis and characterisation of transition metal substituted barium hollandite ceramics

MRS Proceedings ◽

10.1557/proc-932-60.1 ◽

2006 ◽

Vol 932 ◽

Cited By ~ 2

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.

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