Multiple d–d bonds between early transition metals in TM2Lin (TM = Sc, Ti) superatomic molecule clusters

Nanoscale ◽  
2020 ◽  
Vol 12 (39) ◽  
pp. 20506-20512
Author(s):  
Yichun Zhou ◽  
Xinlei Yu ◽  
Longjiu Cheng
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Early Transition Metal ◽  
Early Transition

Early transition metal Sc–Sc form d–d quintuple bonds via superatomic bonding in the Li20Sc2 cluster.

scholarly journals Modifying bis(triflimide) ionic liquids by dissolving early transition metal carbamates

2018 ◽  
Vol 20 (7) ◽  
pp. 5057-5066 ◽  
Author(s):  
Lorenzo Biancalana ◽  
Giulio Bresciani ◽  
Cinzia Chiappe ◽  
Fabio Marchetti ◽  
Guido Pampaloni ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Electrostatic Interaction ◽  
Early Transition Metal ◽  
Maximum Value ◽  
Early Transition

Bis(triflimide) ionic liquids have been modified by dissolution ofN,N-dialkylcarbamates of early transition metals, the solubilities reaching the maximum value (1.46 M) with Nb(O2CNEt2)3. The solutions contain intact metal complexes, undergoing electrostatic interaction with the solvent cation.

Trigonal prismatic versus octahedral coordination geometry of transition metal dithiolates: Comparison between saturated and unsaturated early transition metal tris(1,2-dithiolate) complexes

1989 ◽  
Vol 67 (11) ◽  
pp. 1914-1923 ◽  
Author(s):  
Joel L. Martin ◽  
Josef Takats
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Twist Angle ◽  
Coordination Geometry ◽  
Chelate Complexes ◽  
Early Transition Metal ◽  
H Nmr ◽  
Cell Dimensions ◽  
Trigonal Prismatic ◽  
Early Transition

Reaction of a stoichiometric amount of H2edt/NaHedt (edt = ethane-1,2-dithiolate) with the appropriate metal amide, followed by cation exchange, gave the complexes [NEt4]2[M(edt)3] (M = Ti, 1; Hf, 2) and [AsPh4] [Nb(edt)3]•CH3CN, 3. The structure of 3 has been determined crystallographically (space group; cell dimensions; Z; unique data (I ≥ 3σ (I); R/Rw): [Formula: see text]; a = 9.095(1), b = 14.609(3), c = 15.639(3) Å and α = 60.09(2), β = 80.07(3), γ = 89.89(2)°; z = 2; 1488; 4.3/4.5. The coordination geometry of 3 is severely distorted from the trigonal prismatic (TP) structure found in the analogous Nb(1,2-S2C6H4)3−, which contains an unsaturated 1,2-dithiolate ligand system. The average twist angle between triangular faces is 33.3°. However, on the basis of VT 1H NMR spectroscopy it is argued that the TP form is at most 9–10 kcal mol−1 less stable than the observed geometry. A comparison between the structures of tris-chelate complexes of the early transition metals containing saturated and unsaturated 1,2-dithiolates and related ligands is made, and the factors thought to be responsible for TP vs. octahedral geometry are reviewed and their relative importance assessed. Keywords: structure, trigonal prismatic, 1,2-dithiolate, early transition metals.

scholarly journals How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: A computational study

2021 ◽  
Author(s):  
Matthew Quesne ◽  
C. Richard A. Catlow ◽  
Nora Henriette De Leeuw
Keyword(s):  
Carbon Dioxide ◽  
Transition Metal ◽  
Surface Properties ◽  
In Silico ◽  
Computational Study ◽  
Max Phase ◽  
Early Transition Metal ◽  
Silicon Carbides ◽  
Carbon Dioxide Hydrogenation ◽  
Early Transition

We present several in silico insights into the MAX-phase of early transition metal silicon carbides and explore how these affect carbon dioxide hydrogenation. Periodic desity functional methodology is applied to...

scholarly journals Compositional Phase Change of Early Transition Metal Diselenide (VSe 2 and TiSe 2 ) Ultrathin Films by Postgrowth Annealing

2020 ◽  
Vol 7 (15) ◽  
pp. 2000497
Author(s):  
Manuel Bonilla ◽  
Sadhu Kolekar ◽  
Jiangfeng Li ◽  
Yan Xin ◽  
Paula Mariel Coelho ◽  
...  
Keyword(s):  
Transition Metal ◽  
Phase Change ◽  
Ultrathin Films ◽  
Early Transition Metal ◽  
Postgrowth Annealing ◽  
Early Transition
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