scholarly journals A Chatt‐Type Catalyst with One Coordination Site for Dinitrogen Reduction to Ammonia

2020 ◽  
Vol 26 (65) ◽  
pp. 14775-14775
Author(s):  
Tobias A. Engesser ◽  
Andrei Kindjajev ◽  
Jannik Junge ◽  
Jan Krahmer ◽  
Felix Tuczek
Keyword(s):  
Coordination Site ◽  
Dinitrogen Reduction

scholarly journals Front Cover: A Chatt‐Type Catalyst with One Coordination Site for Dinitrogen Reduction to Ammonia (Chem. Eur. J. 65/2020)

2020 ◽  
Vol 26 (65) ◽  
pp. 14771-14771
Author(s):  
Tobias A. Engesser ◽  
Andrei Kindjajev ◽  
Jannik Junge ◽  
Jan Krahmer ◽  
Felix Tuczek
Keyword(s):  
Front Cover ◽  
Coordination Site ◽  
Dinitrogen Reduction

scholarly journals A Chatt‐Type Catalyst with One Coordination Site for Dinitrogen Reduction to Ammonia

2020 ◽  
Vol 26 (65) ◽  
pp. 14807-14812
Author(s):  
Tobias A. Engesser ◽  
Andrei Kindjajev ◽  
Jannik Junge ◽  
Jan Krahmer ◽  
Felix Tuczek
Keyword(s):  
Coordination Site ◽  
Dinitrogen Reduction

scholarly journals H2O coordination in macropa complexes of f elements (Ac, La, Lu): feasibility of the 11th coordination site

2021 ◽  
Author(s):  
Attila Kovács ◽  
Zoltán Varga
Keyword(s):  
Aqueous Solution ◽  
Metal Ion ◽  
Density Functional ◽  
Molecular Level ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Coordination Site ◽  
Additional Ligand ◽  
Ligand Coordination ◽  
Bonding Properties

AbstractThe feasibility of an additional ligand coordination at the 11th coordination site of actinium, lanthanum, and lutetium ions in 10-fold coordinated macropa complexes has been studied by means of density functional theory calculations. The study covered the two main macropa conformers, Δ(δλδ)(δλδ) and Δ(λδλ)(λδλ), favoured by larger (Ac3+, La3+) and smaller (Lu3+) ions, respectively. At the molecular level, the coordination of H2O is the most favourable to the largest Ac3+ while only slightly less to La3+. Protonation of the picoline arms enhances the coordination by shifting the metal ion closer to the open site of the ligand. The choice of macropa conformer has only a slight influence on the strength and bonding properties of the H2O coordination. Aqueous solution environment decreases considerably the energy gain of H2O coordination at the 11th coordination site.

Novel Synthetic Routes to s-Block Metal 2,5-Diphenylphospholides and Crystal Structures of the Bis(tetrahydrofuran) Complexes of the Potassium, Calcium, and Strontium Derivatives

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1360-1368 ◽  
Author(s):  
Katja Wimmer ◽  
Christin Birg ◽  
Robert Kretschmer ◽  
Tareq M.A. Al-Shboul ◽  
Helmar Görls ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Chain Structure ◽  
Molecular Structures ◽  
Metathesis Reaction ◽  
Sandwich Complex ◽  
Coordination Site ◽  
Metal Atoms ◽  
Synthetic Routes ◽  
A Chain

The reduction of 1,4-diphenyl-1,4-bis(diphenylphosphanyl)buta-1,3-diene (1) (1,4-diphenyl- NUPHOS) with potassium in THF yields bis(THF)potassium 2,5-diphenylphospholide (2) which crystallizes with a chain structure. The metathesis reaction of 2 with the iodides of calcium, strontium, and barium leads to the formation of [bis(THF)calcium bis(2,5-diphenylphospholide)] (3), [bis(THF)strontium bis(2,5-diphenylphospholide)] (4), and [bis(THF)barium bis(2,5-diphenylphospholide)] (5). The reaction of M{P(H)SiiPr3}2 with diphenylbutadiyne in THF also leads to the formation of the 2,5-diphenylphospholides of calcium (3), strontium (4), and barium (5). The molecular structures of 2 to 4 are discussed. The environment of the metal atoms is very similar in all these compounds: The metal atoms show an η5 coordination to the phospholide rings forming a bent sandwich complex. The open coordination site is occupied by two THF molecules

Coordination site-dependent cation binding and multi-responsible redox properties of Janus-head metalloligand, [MoV(1,2-mercaptophenolato)3]

2012 ◽  
Vol 41 (27) ◽  
pp. 8303 ◽  
Author(s):  
Takeshi Matsumoto ◽  
Masanori Wakizaka ◽  
Hirokazu Yano ◽  
Atsushi Kobayashi ◽  
Ho-Chol Chang ◽  
...  
Keyword(s):  
Redox Properties ◽  
Cation Binding ◽  
Coordination Site

scholarly journals Pulsed Electron Spin Resonance Resolves the Coordination Site of Cu2+ Ions in α1-Glycine Receptor

2010 ◽  
Vol 99 (8) ◽  
pp. 2497-2506 ◽  
Author(s):  
Sharon Ruthstein ◽  
Katherine M. Stone ◽  
Timothy F. Cunningham ◽  
Ming Ji ◽  
Michael Cascio ◽  
...  
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Glycine Receptor ◽  
Coordination Site ◽  
Spin Resonance
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