The Role of Metal-Ligand Cooperation in Manganese(I)-Catalyzed Hydrogenation/Dehydrogenation Reactions

2020 ◽  
Author(s):  
Stefan Weber ◽  
Karl Kirchner
Keyword(s):  
Dehydrogenation Reactions ◽  
Metal Ligand

Role of Metal–Ligand Bond Strength and Phase Separation on the Mechanical Properties of Metallopolymer Films

2013 ◽  
Vol 46 (14) ◽  
pp. 5416-5422 ◽  
Author(s):  
Aaron C. Jackson ◽  
Frederick L. Beyer ◽  
Samuel C. Price ◽  
B. Christopher Rinderspacher ◽  
Robert H. Lambeth
Keyword(s):  
Mechanical Properties ◽  
Phase Separation ◽  
Bond Strength ◽  
Metal Ligand ◽  
Ligand Bond

scholarly journals The Role of Proton Shuttles in the Reversible Activation of Hydrogen via Metal–Ligand Cooperation

2019 ◽  
Vol 141 (43) ◽  
pp. 17350-17360 ◽  
Author(s):  
Nicholas E. Smith ◽  
Wesley H. Bernskoetter ◽  
Nilay Hazari
Keyword(s):  
Metal Ligand

Notizen: Zum Verständnis der zentralen Rolle des Schwefels in Multi-Metall-Aggregaten mit verschiedener Elektronenpopulation: [S2WS2CoS2WS2]n- (n = 2, 3)/On the Central Role of Sulfur in Multi Metal Aggregates with Different Electron Populations: [S2WS2CoS2WS2]n-(n = 2, 3)

1983 ◽  
Vol 38 (4) ◽  
pp. 528-529 ◽  
Author(s):  
Achim Müller ◽  
Winfried Hellmann ◽  
Uwe Schimanski ◽  
Rainer Jostes ◽  
William E. Newton
Keyword(s):  
Structure Analysis ◽  
Electron Population ◽  
X Ray ◽  
Ligand System ◽  
Physical Measurements ◽  
Theoretical Investigations ◽  
Additional Charge ◽  
Metal Ligand

Abstract The hetero metal sulfur aggregates [Co(WS4)2] n- (with variable electron population: n = 2, 3) could be isolated as salts and characterized by physical measurements (in-cluding X-ray structure analysis). Experimental and theoretical investigations show that due to a strong metal → ligand electron delocalisation WS42-(like MOS42-) is a non-innocent ligand and that the additional charge upon reduction is located mainly at the S atoms of the ligand system.

scholarly journals Role of the [2Fe-2S]2+Cluster in Biotin Synthase:  Mutagenesis of the Atypical Metal Ligand Arginine 260†

Biochemistry ◽  
2006 ◽  
Vol 45 (47) ◽  
pp. 14166-14174 ◽  
Author(s):  
Robyn B. Broach ◽  
Joseph T. Jarrett
Keyword(s):  
Biotin Synthase ◽  
Metal Ligand

ChemInform Abstract: Organometallic Reactivity: The Role of Metal-Ligand Bond Energies from a Computational Perspective

ChemInform ◽  
2011 ◽  
Vol 43 (2) ◽  
pp. no-no
Author(s):  
Natalie Fey ◽  
Benjamin M. Ridgway ◽  
Jesus Jover ◽  
Claire L. McMullin ◽  
Jeremy N. Harvey
Keyword(s):  
Bond Energies ◽  
Computational Perspective ◽  
Metal Ligand ◽  
Ligand Bond

The Role of Guest Molecules in the Self-Assembly of Metal-Ligand Clusters

ChemInform ◽  
2003 ◽  
Vol 34 (1) ◽  
pp. no-no
Author(s):  
Darren W. Johnson ◽  
Kenneth N. Raymond
Keyword(s):  
Self Assembly ◽  
The Self ◽  
Guest Molecules ◽  
Metal Ligand

scholarly journals Catalytic Effect of Hydrogen Bond on Oxhydryl Dehydrogenation in Methanol Steam Reforming on Ni(111)

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1531
Author(s):  
Changming Ke ◽  
Zijing Lin
Keyword(s):  
Hydrogen Bond ◽  
Steam Reforming ◽  
Methanol Steam Reforming ◽  
Elastic Band ◽  
Charge Analysis ◽  
Band Method ◽  
Dehydrogenation Reactions ◽  
Key Steps ◽  
Bader Charge Analysis

Dehydrogenation of H3COH and H2O are key steps of methanol steam reforming on transition metal surfaces. Oxhydryl dehydrogenation reactions of HxCOH (x = 0–3) and OH on Ni (111) were investigated by DFT calculations with the OptB88-vdW functional. The transition states were searched by the climbing image nudged elastic band method and the dimer method. The activation energies for the dehydrogenation of individual HxCOH* are 68 to 91 kJ/mol, and reduced to 12–17 kJ/mol by neighboring OH*. Bader charge analysis showed the catalysis role of OH* can be attributed to the effect of hydrogen bond (H-bond) in maintaining the charge of oxhydryl H in the reaction path. The mechanism of H-bond catalysis was further demonstrated by the study of OH* and N* assisted dehydrogenation of OH*. Due to the universality of H-bond, the H-bond catalysis shown here, is of broad implication for studies of reaction kinetics.

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