scholarly journals Mechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways

2021 ◽  
Author(s):  
Matthias Loipersberger ◽  
Delmar G. A. Cabral ◽  
Daniel B. K. Chu ◽  
Martin Head-Gordon
Keyword(s):  
Driving Force ◽  
Co2 Reduction ◽  
Orbital Interaction ◽  
Ligand Orbital ◽  
Reduction Catalysts ◽  
Metal Ligand

Frontispiece: Judicious Ligand Design in Ruthenium Polypyridyl CO2 Reduction Catalysts to Enhance Reactivity by Steric and Electronic Effects

2016 ◽  
Vol 22 (42) ◽  
Author(s):  
Ben A. Johnson ◽  
Hemlata Agarwala ◽  
Travis A. White ◽  
Edgar Mijangos ◽  
Somnath Maji ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Ligand Design ◽  
Electronic Effects ◽  
Ruthenium Polypyridyl ◽  
Reduction Catalysts

Controlling Near-Infrared Chromophore Electronic Properties through Metal–Ligand Orbital Alignment

2017 ◽  
Vol 139 (7) ◽  
pp. 2808-2815 ◽  
Author(s):  
Nicole M. Mews ◽  
Andreas Berkefeld ◽  
Gerald Hörner ◽  
Hartmut Schubert
Keyword(s):  
Electronic Properties ◽  
Near Infrared ◽  
Ligand Orbital ◽  
Metal Ligand

Thermodynamics of metal-ligand bond formation. XXV. Addition of bases to Bis[O,O'-diethyl thiomalonato]nickel(II) in various solvents

1977 ◽  
Vol 30 (3) ◽  
pp. 495 ◽  
Author(s):  
L Ang ◽  
DP Graddon ◽  
VAK Ng
Keyword(s):  
Thermodynamic Data ◽  
Driving Force ◽  
Bond Formation ◽  
Adduct Formation ◽  
Calorimetric Measurements ◽  
Carbon Tetra ◽  
Metal Ligand ◽  
Ligand Bond

Thermodynamic data have been obtained from spectroscopic and calorimetric measurements for the addition of pyridine and 4- methylpyridine to bis(O,O?-diethyl thiomalonato)nickel(II), Ni(etm)2, in solution in cyclohexane, benzene, 1,2-dichloroethane, acetonitrile, butan-2-one and carbon tetra-chloride. In each solvent two base molecules add successively, giving Ni(etm)2B then Ni(etm)2B2. There are only small variations in K1 and K2 in different solvents; typically K1 ≈ 200, K2 ≈ 100 l. mol-1, ΔH�1+2 ≈ -65, ΔH�2 ≈ 0 kJ mol-1 at 30�C, but in benzene and cyclohexane ΔH�2 ≈ -25 and in cyclohexane ΔH�1+2 ≈ -100 kJ mol-1. The main driving force for adduct formation is apparently the formation of the first Ni-N bond, which is accompanied by a spin change.

Electrocatalytic CO2 reduction with nickel complexes supported by tunable bipyridyl-N-heterocyclic carbene donors: understanding redox-active macrocycles

2018 ◽  
Vol 54 (27) ◽  
pp. 3351-3354 ◽  
Author(s):  
Xiaojun Su ◽  
Kaitlin M. McCardle ◽  
Julien A. Panetier ◽  
Jonah W. Jurss
Keyword(s):  
Co2 Reduction ◽  
Nickel Complexes ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Redox Active ◽  
Reduction Catalysts ◽  
Insight Into

A structure–activity relationship, revealed through a series of nickel-based CO2 reduction catalysts, provides insight into the role of redox-active macrocycles.

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