Latest Articles of Organometallics


Ni(I)-Hydride Catalyst for Hydrosilylation of Carbon Dioxide and Dihydrogen Generation: Theoretical Prediction and Exploration of Full Catalytic Cycle 10.1021/acs.organomet.8b00011 2018-04-11 We wish to report here the first theoretical prediction that a unique nickel(I) hydride complex NiIH(bpy) (bpy = 2,2′-bipyridine) 1 is a good catalyst for hydrosilylation of CO2 with hydrosilane (HSiR3) and dihydrogen (H2) generation via alcoholysis/hydrolysi...
Water-Soluble Mono- and Binuclear Ru(η6-p-cymene) Complexes Containing Indole Thiosemicarbazones: Synthesis, DFT Modeling, Biomolecular Interactions, and In Vitro Anticancer Activity through Apoptosis 10.1021/acs.organomet.8b00004 2018-04-10 Indole thiosemicarbazone ligands were prepared from indole-3-carboxaldehyde and N-(un)substituted thiosemicarbazide. The Ru(η6-p-cymene) complexes [Ru(η6-p-cymene)(HL1)Cl]Cl (1) and [Ru(η6-p-cymene)(L2)]2Cl2 (2*) were exclusively synthesized from thiosemicarb...
Synthesis and Application of Pyrrole-Based PNP–Ir Complexes to Catalytic Transfer Dehydrogenation of Cyclooctane 10.1021/acs.organomet.8b00072 2018-04-10 A series of tBu- and iPr-substituted PNP–pincer Ir and Rh complexes with pyrrole-based core were synthesized and characterized. The structures of the obtained complexes were varied depending on the size of alkyl substituents and ligands other than PNP ligand....
Reactivity of a Silica-Supported Mo Alkylidene Catalyst toward Alkanes: A DFT Study on the Metathesis of Propane 10.1021/acs.organomet.8b00090 2018-04-10 The metathesis of alkanes is a process in which a given alkane is transformed into higher and lower homologues. Here, we carried out DFT calculations in order to get insights into the most favorable reaction pathway for the metathesis of propane into mainly e...
Iridium PC(sp3)P Pincer Complexes with Hemilabile Pendant Arms: Synthesis, Characterization, and Catalytic Activity 10.1021/acs.organomet.8b00105 2018-04-10 A series of new PC(sp3)P pincer ligands possessing hemilabile alkoxyl side arms as well as their iridium complexes are reported. All new organometallic compounds were structurally characterized including X-ray analysis. The hemilability of the side arms was p...
Conceptual Extension of the Degradation–Transformation of N-Heterocyclic Carbenes: Unusual Rearrangements on Osmium 10.1021/acs.organomet.8b00110 2018-04-09 The range of processes of degradation–transformation of NHC ligands in the coordination sphere of a transition metal has been enlarged. The NHC-acyl ligand of the complex Os{κ2-C,C-[C(O)CH2ImMe]}Cl(PiPr3)2 (1) undergoes a complex rearrangement promoted by int...
Metal Acetylide Elimination: The Key Step in the Cascade Decomposition and Transformation of Metalated Propargylamines 10.1021/acs.organomet.8b00047 2018-04-05 Metal acetylide elimination facilitates a novel one-pot cascade metalation and elimination/addition route to a series of unsymmetrical secondary amines from the reaction of secondary propargylamines with organometallic reagents. Spectroscopic evidence suggest...
Rhenium and Manganese Complexes Bearing Amino-Bis(phosphinite) Ligands: Synthesis, Characterization, and Catalytic Activity in Hydrogenation of Ketones 10.1021/acs.organomet.8b00020 2018-04-04 A series of rhenium and manganese complexes supported by easily accessible and easily tunable amino-bisphosphinite ligands was prepared and characterized by NMR and IR spectroscopy, HR mass spectrometry, elemental analysis, and X-ray diffraction studies. Thes...
Epoxide-like Chemistry: 1,2-Bifunctional P-Ligands via Stereo- and Regioselective Ring Opening of an Oxaphosphirane Complex 10.1021/acs.organomet.8b00116 2018-04-04 Facile stereo- and regioselective ring opening of the oxaphosphirane complex A is presented using small molecules with differently polar E–H bonds (HCl, H2O, and NH3). The synthetic potential of the thus obtained novel 1,2-bifunctional ligands B is illustrate...
Influence of Ligands and Oxidation State on the Reactivity of Pentacoordinated Iron Carbenes with Olefins: Metathesis versus Cyclopropanation 10.1021/acs.organomet.7b00786 2018-04-03 DFT (OPBE) calculations have been used to explore how the nature of the ligands, the coordination around the metal center, and the formal iron oxidation state tunes the ground state multiplicity of L4Fe═CH2 carbenes and influences their reactivity with olefin...

Ni(I)-Hydride Catalyst for Hydrosilylation of Carbon Dioxide and Dihydrogen Generation: Theoretical Prediction and Exploration of Full Catalytic Cycle

10.1021/acs.organomet.8b00011

2018-04-11

We wish to report here the first theoretical prediction that a unique nickel(I) hydride complex NiIH(bpy) (bpy = 2,2′-bipyridine) 1 is a good catalyst for hydrosilylation of CO2 with hydrosilane (HSiR3) and dihydrogen (H2) generation via alcoholysis/hydrolysi...

Water-Soluble Mono- and Binuclear Ru(η6-p-cymene) Complexes Containing Indole Thiosemicarbazones: Synthesis, DFT Modeling, Biomolecular Interactions, and In Vitro Anticancer Activity through Apoptosis

10.1021/acs.organomet.8b00004

2018-04-10

Indole thiosemicarbazone ligands were prepared from indole-3-carboxaldehyde and N-(un)substituted thiosemicarbazide. The Ru(η6-p-cymene) complexes [Ru(η6-p-cymene)(HL1)Cl]Cl (1) and [Ru(η6-p-cymene)(L2)]2Cl2 (2*) were exclusively synthesized from thiosemicarb...

Synthesis and Application of Pyrrole-Based PNP–Ir Complexes to Catalytic Transfer Dehydrogenation of Cyclooctane

10.1021/acs.organomet.8b00072

2018-04-10

A series of tBu- and iPr-substituted PNP–pincer Ir and Rh complexes with pyrrole-based core were synthesized and characterized. The structures of the obtained complexes were varied depending on the size of alkyl substituents and ligands other than PNP ligand....

Reactivity of a Silica-Supported Mo Alkylidene Catalyst toward Alkanes: A DFT Study on the Metathesis of Propane

10.1021/acs.organomet.8b00090

2018-04-10

The metathesis of alkanes is a process in which a given alkane is transformed into higher and lower homologues. Here, we carried out DFT calculations in order to get insights into the most favorable reaction pathway for the metathesis of propane into mainly e...

Iridium PC(sp3)P Pincer Complexes with Hemilabile Pendant Arms: Synthesis, Characterization, and Catalytic Activity

10.1021/acs.organomet.8b00105

2018-04-10

A series of new PC(sp3)P pincer ligands possessing hemilabile alkoxyl side arms as well as their iridium complexes are reported. All new organometallic compounds were structurally characterized including X-ray analysis. The hemilability of the side arms was p...

Conceptual Extension of the Degradation–Transformation of N-Heterocyclic Carbenes: Unusual Rearrangements on Osmium

10.1021/acs.organomet.8b00110

2018-04-09

The range of processes of degradation–transformation of NHC ligands in the coordination sphere of a transition metal has been enlarged. The NHC-acyl ligand of the complex Os{κ2-C,C-[C(O)CH2ImMe]}Cl(PiPr3)2 (1) undergoes a complex rearrangement promoted by int...

Metal Acetylide Elimination: The Key Step in the Cascade Decomposition and Transformation of Metalated Propargylamines

10.1021/acs.organomet.8b00047

2018-04-05

Metal acetylide elimination facilitates a novel one-pot cascade metalation and elimination/addition route to a series of unsymmetrical secondary amines from the reaction of secondary propargylamines with organometallic reagents. Spectroscopic evidence suggest...

Rhenium and Manganese Complexes Bearing Amino-Bis(phosphinite) Ligands: Synthesis, Characterization, and Catalytic Activity in Hydrogenation of Ketones

10.1021/acs.organomet.8b00020

2018-04-04

A series of rhenium and manganese complexes supported by easily accessible and easily tunable amino-bisphosphinite ligands was prepared and characterized by NMR and IR spectroscopy, HR mass spectrometry, elemental analysis, and X-ray diffraction studies. Thes...

Epoxide-like Chemistry: 1,2-Bifunctional P-Ligands via Stereo- and Regioselective Ring Opening of an Oxaphosphirane Complex

10.1021/acs.organomet.8b00116

2018-04-04

Facile stereo- and regioselective ring opening of the oxaphosphirane complex A is presented using small molecules with differently polar E–H bonds (HCl, H2O, and NH3). The synthetic potential of the thus obtained novel 1,2-bifunctional ligands B is illustrate...

Influence of Ligands and Oxidation State on the Reactivity of Pentacoordinated Iron Carbenes with Olefins: Metathesis versus Cyclopropanation

10.1021/acs.organomet.7b00786

2018-04-03

DFT (OPBE) calculations have been used to explore how the nature of the ligands, the coordination around the metal center, and the formal iron oxidation state tunes the ground state multiplicity of L4Fe═CH2 carbenes and influences their reactivity with olefin...