Nitric oxide coupling mediated by iron porphyrins: the N–N bond formation step is facilitated by electrons and a proton

2012 ◽  
Vol 48 (72) ◽  
pp. 9041 ◽  
Author(s):  
Jun Yi ◽  
Brian H. Morrow ◽  
Adam L. O. C. Campbell ◽  
Jana K. Shen ◽  
George B. Richter-Addo
Keyword(s):  
Nitric Oxide ◽  
Bond Formation ◽  
Iron Porphyrins ◽  
Formation Step

Topography of the Free Energy Landscape on the Claisen-Schmidt Condensation: Solvent and Temperature Effect in the Rate-Controlling Step

2021 ◽  
Author(s):  
Nayara Dantas Coutinho ◽  
Hugo Gontijo Machado ◽  
Valter Henrique Carvalho-Silva ◽  
Wender A. Silva
Keyword(s):  
Free Energy ◽  
Temperature Effect ◽  
Strong Influence ◽  
Aldol Condensation ◽  
Energy Landscape ◽  
Bond Formation ◽  
Free Energy Landscape ◽  
Rate Controlling Step ◽  
Formation Step

Recent studies have assigned hydroxide elimination and C=C bond formation step in base-promoted aldol condensation the role of having a strong influence in the overall rate reaction, in contrast to...

Reversible binding of nitric oxide and carbon monoxide to iron porphyrins. Assessment of the role of the protein in hemoglobin

1973 ◽  
Vol 95 (12) ◽  
pp. 4087-4089 ◽  
Author(s):  
Dennis V. Stynes ◽  
H. Cleary. Stynes ◽  
Brian R. James ◽  
James A. Ibers
Keyword(s):  
Nitric Oxide ◽  
Carbon Monoxide ◽  
Iron Porphyrins ◽  
Reversible Binding

Nitrosylation in a Crystal: Remarkable Movements of Iron Porphyrins Upon Binding of Nitric Oxide

2011 ◽  
Vol 123 (41) ◽  
pp. 9868-9870 ◽  
Author(s):  
Nan Xu ◽  
Douglas R. Powell ◽  
George B. Richter-Addo
Keyword(s):  
Nitric Oxide ◽  
Iron Porphyrins

scholarly journals Probing the C–O Bond-Formation Step in Metalloporphyrin-Catalyzed C–H Oxygenation Reactions

ACS Catalysis ◽  
2017 ◽  
Vol 7 (6) ◽  
pp. 4182-4188 ◽  
Author(s):  
Wei Liu ◽  
Mu-Jeng Cheng ◽  
Robert J. Nielsen ◽  
William A. Goddard ◽  
John T. Groves
Keyword(s):  
Bond Formation ◽  
Formation Step

Interactions of nitric oxide and organic nitroso compounds with metalloporphyrins and heme

2000 ◽  
Vol 04 (04) ◽  
pp. 354-357 ◽  
Author(s):  
GEORGE B. RICHTER-ADDO
Keyword(s):  
Nitric Oxide ◽  
Excited State ◽  
Electronic Properties ◽  
Ground State ◽  
Bond Formation ◽  
Metal Center ◽  
Nitroso Compounds ◽  
Model Compounds ◽  
Axial Ligands ◽  
Metal Nitrosyls

The chemistry of nitric oxide (NO) has taken on new dimensions since the discovery, about a decade ago, of a myriad of biological events that NO participates in. Many of the foundations of metal-NO chemistry were laid out earlier by inorganic chemists and biochemists investigating the structures and electronic properties of the heme-NO moiety or its model compounds. Certainly, the persistent work over the last three decades by chemists working with metal nitrosyls has paid off. Current areas of research in heme-NO chemistry include (i) how the NO group approaches and binds to the metal center (or how it dissociates from the metal center); (ii) the ground state and excited state geometries of the metal-NOfragment; (iii) effects of the trans axial ligands on NO orientation and/or dissociation; and (iv) N-N bond formation from NO molecules catalyzed by heme groups.

Interaction of Nitric Oxide and Nitric Oxide Dimer with Silver Clusters

2005 ◽  
Vol 1 (4) ◽  
pp. 253-258 ◽  
Author(s):  
V.E. Matulis ◽  
O.A. Ivashkevich ◽  
V.S. Gurin
Keyword(s):  
Nitric Oxide ◽  
Density Functional Theory ◽  
Cluster Model ◽  
Density Functional ◽  
Bond Formation ◽  
Silver Cluster ◽  
Silver Clusters ◽  
Functional Theory ◽  
Nitric Oxide Dimer

Study of interaction of NO and (NO)2 molecules with silver clusters has been carried out using the hybrid method S2LYP based on density functional theory (DFT). The role of cluster charge and site of adsorption on N–O stretch frequency, adsorption energy and geometry has been investigated. Four cluster models of different size have been used for simulation of (NO)2 adsorption on Ag{111} surface. The pronounced effect of N–N bond shortening in comparison with gaseous (NO)2 has been found due to adsorption of (NO)2 on silver cluster. This phenomenon is important as possible pathway of N–N bond formation in catalytic fragmentation of NO molecule. The calculations showed that the silver octamer is the best candidate for simulation of formation and fragmentation of (NO)2 on Ag{111} surface within the cluster model.

scholarly journals Impact of the Ligand Flexibility and Solvent on the O–O Bond Formation Step in a Highly Active Ruthenium Water Oxidation Catalyst

2018 ◽  
Vol 57 (21) ◽  
pp. 13063-13066 ◽  
Author(s):  
Nitish Govindarajan ◽  
Ambuj Tiwari ◽  
Bernd Ensing ◽  
Evert Jan Meijer
Keyword(s):  
Water Oxidation ◽  
Bond Formation ◽  
Oxidation Catalyst ◽  
Highly Active ◽  
Formation Step
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