UAB Digital Repository of Documents 10 records found  Search took 0.01 seconds. 
1.
7 p, 1.7 MB Synthesis of Vanadium Oxo Alkylidene Complex and Its Reactivity in Ring-Closing Olefin Metathesis Reactions / Belov, Dmitry S. (Florida International University. Department of Chemistry and Biochemistry) ; Fenoll, Didac A. (Universitat Autònoma de Barcelona. Departament de Química) ; Chakraborty, Indranil (Florida International University. Department of Chemistry and Biochemistry) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Bukhryakov, Konstantin V. (Florida International University. Department of Chemistry and Biochemistry)
V imido alkylidenes have been applied for the ring-opening metathesis polymerization involving cyclic olefins. However, those complexes found limited application in reactions with acyclic terminal olefins due to instability toward ethylene. [...]
2021 - 10.1021/acs.organomet.1c00425
Organometallics, Vol. 40, Issue 17 (September 2021) , p. 2939-2944  
2.
7 p, 1.1 MB Vanadium Imido NHC Complexes for Ring-Closing Olefin Metathesis Reactions / Tejeda, Gabriela (Florida International University. Department of Chemistry and Biochemistry) ; Belov, Dmitry S. (Florida International University. Department of Chemistry and Biochemistry) ; Fenoll, Didac A. (Universitat Autònoma de Barcelona. Departament de Química) ; Rue, Kelly L. (Florida International University. Department of Chemistry and Biochemistry) ; Tsay, Charlene (University of California. Department of Chemistry) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Bukhryakov, Konstantin V. (Florida International University. Department of Chemistry and Biochemistry)
Vanadium bis-phosphine imido and oxo chloride alkylidenes have been extensively applied in the ring-closing metathesis of various acyclic olefins. However, their reactions involving ethylene have shown limited productivity due to rapid decomposition. [...]
2022 - 10.1021/acs.organomet.2c00013
Organometallics, Vol. 41, Issue 4 (February 2022) , p. 361-365  
3.
7 p, 1.1 MB Synthesis and Activity of Vanadium Oxo NHC Alkylidenes. Remarkable Preference for Degenerate Metathesis and Application for Carbon Isotope Exchange / Belov, Dmitry S. (Florida International University. Department of Chemistry and Biochemistry) ; Acosta, Carlos M. (Florida International University. Department of Chemistry and Biochemistry) ; Garcia-Molina, Miquel (Universitat Autònoma de Barcelona. Departament de Química) ; Rue, Kelly L. (Florida International University. Department of Chemistry and Biochemistry) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Bukhryakov, Konstantin V. (Florida International University. Department of Chemistry and Biochemistry)
V imido NHC phosphine alkylidenes are the most efficient V catalysts for ring-closing olefin metathesis of various terminal dienes. The presence of imido and phosphine ligands is responsible for catalyst decomposition. [...]
2022 - 10.1021/acs.organomet.2c00465
Organometallics, Vol. 41, Issue 21 (November 2022) , p. 2897-2902  
4.
37 p, 1.5 MB Influence of ligands and oxidation state on the reactivity of pentacoordinated iron carbenes with olefins : metathesis versus cyclopropanation / de Brito Sá, Égil (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química)
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 olefins. [...]
2018 - 10.1021/acs.organomet.7b00786
Organometallics, Vol. 37, issue 8 (April 2018) , p. 1229-1241  
5.
10 p, 583.6 KB Mechanistic Insights on the Hydration of Terminal and Internal Allenes Catalyzed by [(NHC)Au]+ / Muñoz-López, Sara (Universitat Autònoma de Barcelona. Departament de Química) ; Couce-Rios, Almudena (Universitat Autònoma de Barcelona. Departament de Química) ; Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ; Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química) ; Ujaque Pérez, Gregori (Universitat Autònoma de Barcelona. Departament de Química)
The reaction mechanism for the hydration of internal and terminal allenes catalyzed by [Au(NHC)]+ is analyzed by means of DFT calculations. Several reaction pathways for generating the two possible regioisomers were evaluated. [...]
2018 - 10.1021/acs.organomet.8b00230
Organometallics, Vol. 37, Issue 20 (October 2018) , p. 3543-3551  
6.
13 p, 1.1 MB Comparative Mechanistic Study on the [Au(NHC)]+-Catalyzed Hydration of Alkynes, Alkenes, and Allenes / Sciortino, Giuseppe (Universitat Autònoma de Barcelona. Departament de Química) ; Muñoz-López, Sara (Universitat Autònoma de Barcelona. Departament de Química) ; Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química) ; Ujaque Pérez, Gregori (Universitat Autònoma de Barcelona. Departament de Química)
The addition of water molecules to unsaturated substrates is a highly desirable process. Additions to alkynes are very common, whereas additions to allenes and specially alkenes are rather scarce. One of the main aims here is to perform a comparative analysis of their reaction mechanisms for the process catalyzed by Au(I); another objective is to analyze why alkenes are much less reactive than their alkyne or allene counterparts. [...]
2020 - 10.1021/acs.organomet.0c00292
Organometallics, Vol. 39, Issue 19 (October 2020) , p. 3469-3479  
7.
13 p, 7.9 MB Direct Benzene Hydroxylation with Dioxygen Induced by Copper Complexes : Uncovering the Active Species by DFT Calculations / Borrego, Elena (Universidad de Huelva. Departamento de Química) ; Tiessler-Sala, Laura (Universitat Autònoma de Barcelona. Departament de Química) ; Lázaro, Jesus J. (Compañía Española de Petróleos S.A. Cepsa Research Center) ; Caballero, Ana B (Universidad de Huelva. Departamento de Química) ; Pérez, Pedro J. (Universidad de Huelva. Departamento de Química) ; Lledós, Agustí (Universitat Autònoma de Barcelona. Departament de Química)
The direct oxidation of benzene into phenol using molecular oxygen at very mild temperatures can be promoted in the presence of the copper complex TpCu(NCMe) in the homogeneous phase in the presence of ascorbic acid as the source of protons and electrons. [...]
2022 - 10.1021/acs.organomet.2c00202
Organometallics, Vol. 41, Issue 14 (July 2022) , p. 1892-1904  
8.
11 p, 6.2 MB Supramolecular arrangement of molybdenum carbonyl metallosurfactants with CO-releasing properties / Parera Piella, Elisabet (Universitat Autònoma de Barcelona. Departament de Química) ; Marín García, Maribel (Universitat Autònoma de Barcelona. Centre d'Estudis en Biofísica) ; Pons, Ramon (Institut de Química Avançada de Catalunya) ; Comelles, Francesc (Institut de Química Avançada de Catalunya) ; Suades Ortuño, Joan (Universitat Autònoma de Barcelona. Departament de Química) ; Barnadas Rodríguez, Ramon (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular)
Two families of molybdenum carbonyl metallosurfactants, Mo(CO)₅L and Mo(CO)₄L₂, were synthesized using the functionalized phosphines, Ph₂P(CH₂)nSO₃Na (n = 2, 6, 10) and characterized by the usual spectroscopic and spectrometric methods. [...]
2016 - 10.1021/acs.organomet.5b00917
Organometallics, Vol. 35, Issue 4 (February 2016) , p. 484-493  
9.
30 p, 1.4 MB New bioconjugated rhenium carbonyls by transmetalation reaction with zinc derivatives / Lecina i Veciana, Martí (Universitat Autònoma de Barcelona. Departament de Química) ; Carrer, Alessia (Università di Padova. Dipartimento di Scienze Farmaceutiche) ; Alvarez-Larena, Angel (Universitat Autònoma de Barcelona. Servei de Difracció de Raigs X) ; Mazzi, Ulderico (Università di Padova. Dipartimento di Scienze Farmaceutiche) ; Melendez Alafort, Laura (Istituto Oncologico Veneto) ; Suades Ortuño, Joan (Universitat Autònoma de Barcelona. Departament de Química)
The transmetallation reaction between zinc dithiocarbamates and rhenium carbonyls has been used as a new strategy to link biomolecules to transition metals. The zinc(II) dithiocarbamate of isonipecotic acid (1) and the succinimidyl ester derivative (2) were prepared by straight forward procedures and were fully characterized by spectroscopic and X-ray diffraction methods, showing in both cases the presence of dinuclear complexes. [...]
2012 - 10.1021/om300394v
Organometallics, Vol. 31, Issue 16 (July 2012) , p. 5884-5893  
10.
15 p, 664.2 KB C-H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study / Viciano, Mónica (Universitat Jaume I. Departament de Química Inorgànica i Orgànica) ; Lledós, Agustí (Lledós i Falcó) (Universitat Autònoma de Barcelona. Departament de Química)
A series of bis-N-heterocyclic carbenes of rhodium and iridium have been obtained and characterized. The formation of the M-C bond has been studied according to experimental and theoretical data, showing that two different mechanisms are operative for the first (single proton deprotonation of the bisimidazolium salt, or oxidative addition followed by deprotonation of the metal hydride) and second (oxidative addition of the second bisimidazolium C-H bond, yielding a NHC-IrIII-H species) metalation processes. [...]
2006 - 10.1021/om051004l
Organometallics, Vol. 25, Núm. 5 2006) , p. 1120-1134  

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