Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols

Fraser, Roan; Rooyen, Petrus H. van; Lange, Jurgens Hendrik de; Cukrowski, Ignacy; Landman, Marilé

doi:10.1016/j.jorganchem.2017.03.047

Cited by 18 publications

(13 citation statements)

References 51 publications

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“…The new imidazolium chloride salts [H( L1 – L4 )]Cl were synthesized and purified according to standard literature procedures (see Supporting Information). The metal precursor [CpRuCl(PPh 3 ) 2 ] was synthesized according to the reported method . All other chemicals were purchased from commercial suppliers and used without further purification.…”

Section: Methodsmentioning

confidence: 99%

Synthesis, Stability, and (De)hydrogenation Catalysis by Normal and Abnormal Alkene- and Picolyl-Tethered NHC Ruthenium Complexes

et al. 2019

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A series of p-cymene and cyclopentadienyl Ru(II)-aNHC complexes have been synthesized from 2methylimidazolium salts with either an N-bound alkenyl (1, 3) or picolyl tether (6, 7). The C(5)-Me substituted alkenyl-tethered analogues (2, 4) have also been synthesized. Ag-mediated C(2)dealkylation was a prominent side reaction that led to the formation of normally bound NHC Ru(II) complexes, which in selected cases have been isolated (5, 8). A C(4)-over C(2)-selectivity for ruthenium binding has been established by protecting the C(2)-position with an iPr group on the imidazolium precursor, for which unique p-cymene (9) and cyclopentadienyl (10) Ru(II)-aNHC derivatives have been synthesized. All complexes were applied in the transfer hydrogenation of ketones and in secondary alcohol oxidation, with higher catalytic activity for the p-cymene over the cyclopentadienyl systems, as well as the alkenyl-over the picolyl-containing aNHC complexes.

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Section: Methodsmentioning

confidence: 99%

Synthesis, Stability, and (De)hydrogenation Catalysis by Normal and Abnormal Alkene- and Picolyl-Tethered NHC Ruthenium Complexes

et al. 2019

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“…In 2017, Landman and co-workers reported the reaction of [Mn 2 (CO) 10 ] with a number of free carbenes [34]. They found that the result was a mixture of dimetallic and monometallic trans species, in contrast to the same reaction with [Re 2 (CO) 10 ] where the only product found was the monometallic syn product (Scheme 2).…”

Section: Nhc and Bis-nhc Complexesmentioning

confidence: 99%

“…In 2017, Landman and co-workers expanded the library of mixed NHC/Cp Mn complexes (Fig. 8) [46] and DFT calculations were carried out to establish electronic and steric influences of the NHC ligand on the metal centre. The Wiberg bond indices were calculated and found to be on the order of 0.7, which is similar to triphenylphosphine bonding, and indicates that the ligands display negligible p-back donation from the metal centre.…”

Section: Mixed Nhc/cyclopentadienyl Complexesmentioning

confidence: 99%

Manganese-N-heterocyclic carbene (NHC) complexes – An overview

Broeck¹,

Cazin²

2021

Polyhedron

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“…Only a few theoretical studies on the orbital interaction of M-C (NHC) bonds of early transition metal complexes of metals in their higher or highest oxidation state (electronic configuration d 0 -d 2 ) are currently available. [31,32,33,34]…”

Section: Introductionmentioning

confidence: 99%

Tridentate complexes of group 4 bearing bis-aryloxide N-heterocyclic carbene ligand: Structure, spin density and charge states

Roux

Ori

Bellemin‐Laponnaz

et al. 2021

Chemical Physics Letters

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Metal carbene complexes represent an ubiquitous class of compounds in organomettalic chemistry able to trigger a wealth of catalytic reactions of both fundamental and industrial processes. By resorting to first principles approaches, we focus on the fundamental features of these complexes in which the metal center can be either Hf, Ti or Zr. These specific systems show interesting features in their neutral and charged (+1) states. Yet, we provide evidence of the fact that the nature of the metallic ion does not have a significant impact on the structure of the ligand. Conversely, the removal of one electron (charge state +1) induces a perturbation of the ligand conformation and this, in turn, is prone to affect the catalytic properties of the complex, carrying the singly occupied electronic level (spin distribution of the system) delocalized over the carbene ligand.

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Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols

Cited by 18 publications

References 51 publications

Synthesis, Stability, and (De)hydrogenation Catalysis by Normal and Abnormal Alkene- and Picolyl-Tethered NHC Ruthenium Complexes

Synthesis, Stability, and (De)hydrogenation Catalysis by Normal and Abnormal Alkene- and Picolyl-Tethered NHC Ruthenium Complexes

Manganese-N-heterocyclic carbene (NHC) complexes – An overview

Tridentate complexes of group 4 bearing bis-aryloxide N-heterocyclic carbene ligand: Structure, spin density and charge states

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