Fluoride Reactions with Hydrotris(pyrazolyl)borate Rhenium Oxo Complexes:  Re−F vs B−F Bond Formation

1999 ◽  
Vol 38 (14) ◽  
pp. 3309-3312 ◽  
Author(s):  
Darin D. DuMez ◽  
Todd O. Northcutt ◽  
Yoshihiro Matano ◽  
James M. Mayer
Keyword(s):  
Bond Formation ◽  
Oxo Complexes ◽  
Rhenium Oxo Complexes

scholarly journals Quantum Mechanistic Studies of the Oxidation of Ethylene by Rhenium Oxo Complexes

2021 ◽  
Vol 2021 ◽  
pp. 1-11
Author(s):  
Emmanuel Adu Fosu ◽  
Collins Obuah ◽  
Louis Hamenu ◽  
Albert Aniagyei ◽  
Michael Kojo Ainooson ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Frontier Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Oxo Complexes ◽  
Reaction Energies ◽  
Energy Surfaces ◽  
Rhenium Oxo Complexes ◽  
Epoxidation Catalyst ◽  
Addition Pathway

Transition-metal-mediated oxygen transfer reactions are of importance in both industry and academia; thus, a series of rhenium oxo complexes of the type ReO3L (L = O−, Cl−, F−, OH−, Br−, I−) and their effects as oxidation catalysts on ethylene have been studied. The activation and reaction energies for the addition pathways involving multiple spin states (singlet and triplet) have been computed. In all cases, structures on the singlet potential energy surfaces showed higher stability compared to their counterparts on the triplet potential energy surfaces (PESs). Frontier Molecular Orbital calculations show electrons flow from the HOMO of ethylene to the LUMO of rhenium for all complexes studied except ReO4− where the reverse case occurs. In the reaction between ReO3L (L = O−, Cl−, F−, OH−, Br−, and I−) and ethylene, the concerted [3 + 2] addition pathway on the singlet PES leading to the formation of dioxylate intermediate is favored over the [2 + 2] addition pathway leading to the formation of a metallaoxetane intermediate and subsequent rearrangement to the dioxylate. The activation and the reaction energies for the formation of the dioxylate on the singlet PES for the ligands studied followed the order O− > OH− > I− > F− > Br− > Cl− and O− > OH− > F− > I− > Br− > Cl−, respectively. Furthermore, the activation and the reaction energies for the formation of the metallaoxetane intermediate increase in the order O− > OH− > I− > Br− > Cl− > F− and O− > Br− > I− > Cl− > OH− > F−, respectively. The subsequent rearrangement of the metallaoxetane intermediate to the dioxylate is only feasible in the case of ReO4−. Of all the complexes studied, the best dioxylating catalyst is ReO3Cl (singlet surface) and the best epoxidation catalyst is ReO3F (singlet surface).

N–H cleavage as a route to new pincer complexes of high-valent rhenium

2016 ◽  
Vol 45 (46) ◽  
pp. 18532-18540 ◽  
Author(s):  
Alex J. Kosanovich ◽  
Wei-Chun Shih ◽  
Rodrigo Ramírez-Contreras ◽  
Oleg. V. Ozerov
Keyword(s):  
Pincer Complexes ◽  
Pincer Ligand ◽  
Oxo Complexes ◽  
High Valent ◽  
Rhenium Oxo Complexes

Rhenium oxo complexes of a new PNN (phosphine-amido-amido) pincer ligand display rotameric isomerism and can be reversibly protonated.

ChemInform Abstract: Rhenium Oxo Complexes in Catalytic Oxidations

ChemInform ◽  
2010 ◽  
Vol 31 (22) ◽  
pp. no-no
Author(s):  
G. S. Owens ◽  
J. Arias ◽  
M. M. Abu-Omar
Keyword(s):  
Catalytic Oxidations ◽  
Oxo Complexes ◽  
Rhenium Oxo Complexes

Rhenium-oxo-bis(acetylene) anions: structure, properties, and electronic structure. Comparison of Re-O bonding with that in other rhenium-oxo complexes

1994 ◽  
Vol 13 (1) ◽  
pp. 322-331 ◽  
Author(s):  
Thomas R. Cundari ◽  
Rebecca R. Conry ◽  
Esther Spaltenstein ◽  
Susan C. Critchlow ◽  
Keith A. Hall ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Structure Comparison ◽  
Oxo Complexes ◽  
Rhenium Oxo Complexes ◽  
Structure Properties

Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation

2001 ◽  
Vol 40 (13) ◽  
pp. 2942-2952 ◽  
Author(s):  
Yi Han ◽  
C. Jeff Harlan ◽  
Philipp Stoessel ◽  
Brian J. Frost ◽  
Jack R. Norton ◽  
...  
Keyword(s):  
Oxo Complexes ◽  
Ligand Synthesis ◽  
Kinetics Of ◽  
Rhenium Oxo Complexes

Technetium and rhenium oxo-complexes of new tetradentate ligands with N2S2 and NS3 donor sets

1997 ◽  
pp. 1403 ◽  
Author(s):  
Colin M. Archer ◽  
Jonathan R. Dilworth ◽  
D. Vaughan Griffiths ◽  
Mohammad J. Al-Jeboori ◽  
J. Duncan Kelly ◽  
...  
Keyword(s):  
Oxo Complexes ◽  
Tetradentate Ligands ◽  
Rhenium Oxo Complexes

Electronic Design Criteria for O−O Bond Formation via Metal−Oxo Complexes

2008 ◽  
Vol 47 (6) ◽  
pp. 1849-1861 ◽  
Author(s):  
Theodore A. Betley ◽  
Qin Wu ◽  
Troy Van Voorhis ◽  
Daniel G. Nocera
Keyword(s):  
Bond Formation ◽  
Design Criteria ◽  
Oxo Complexes ◽  
Electronic Design
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