0000000000449130

AUTHOR

Roland Roesler

showing 55 related works from this author

The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidin…

2010

Targeting N-heterocyclic carbenes (NHCs) with increased π-acceptor character featuring N-fluorophenyl substituents, the molecular 2-chloro-1,3-bis(fluorophenyl)imidazolidine-4,5-diones (1a–c) were isolated from the condensation of the corresponding formamidine with oxalyl chloride. These formal adducts of NHCs with hydrogen chloride demonstrated reactivity akin to that of alkyl halides: 1,3,1′,3′-tetrakis(2,6-dimethylphenyl)-[2,2′]diimidazolidinyl-4,5,4′,5′-tetraone (2b) was formed via the reductive coupling of 1b, while 1,3-bis(2,6-diisopropylphenyl)-4,5-dioxoimidazolidin-2-yl acetate (3c) was formed as the result of a metathesis reaction with mercury(II) acetate. Chloride abstraction resu…

ArylN-heterosykliset karbeenitGeneral ChemistryMedicinal chemistryChlorideCatalysischemistry.chemical_compoundOxalyl chloridechemistryImidazolidineHexafluorophosphateElectrophileMaterials ChemistrySalt metathesis reactionmedicineOrganic chemistryN-heterocyclic carbenesCarbenemedicine.drugNew Journal of Chemistry
researchProduct

A sigma-donor with a planar six-pi-electron B2N2C2 framework: anionic N-heterocyclic carbene or heterocyclic terphenyl anion?

2006

chemistry.chemical_elementAromaticityGeneral ChemistryElectronGeneral MedicinePhotochemistryCatalysisIonchemistry.chemical_compoundPlanarchemistryTerphenylPolymer chemistryLithiumBoronCarbeneAngewandte Chemie (International ed. in English)
researchProduct

Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks

2009

A series of 1,3-bis(2,6-diisopropylphenyl)-5-methyl-1,3-diaza-4,6-diborabenzenes with methyl, phenyl, and dimethylamino substituents on the ring boron atoms were prepared using the cyclocondensation reaction between N,N'-bis(2,6-diisopropylphenyl)trimethylsilylformamidine and the appropriately substituted 1,1-bis(organochloroboryl)ethane, followed by deprotonation of the cationic ring intermediate. The planar, heterocyclic benzene analogues could be further deprotonated at the other ring carbon using an additional equivalent of potassium hexamethyldisilazide to yield organometallic derivatives akin to the potassium phenylide. The potassium cations could be efficiently sequestered in both so…

ChemistryPotassiumCationic polymerizationchemistry.chemical_elementGeneral ChemistryRing (chemistry)PhotochemistryBiochemistryMedicinal chemistryCatalysischemistry.chemical_compoundColloid and Surface ChemistryDeprotonationYield (chemistry)BenzeneCarbeneCarbanionJournal of the American Chemical Society
researchProduct

More electron rich than cyclopentadienyl: 1,2-diaza-3,5-diborolyl as a ligand in ferrocene and ruthenocene analogs

2011

Ruthenium and iron sandwich complexes incorporating cyclopentadienyl analogs with CB(2)N(2)(-) skeletons were characterized. Electrochemical measurements supported by computational studies revealed that in combination with larger metal ions such as Ru the CB(2)N(2)(-) ligand can be more electron-rich than its organic counterpart.

LigandMetal ions in aqueous solutionMetals and Alloyschemistry.chemical_elementGeneral ChemistryElectronPhotochemistryElectrochemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsRutheniumchemistry.chemical_compoundCyclopentadienyl complexFerrocenechemistryPolymer chemistryMaterials ChemistryCeramics and CompositesRuthenoceneta116Chemical Communications
researchProduct

Haptotropism in a Nickel Complex with a Neutral, π‐Bridging cyclo ‐P 4 Ligand Analogous to Cyclobutadiene

2022

General MedicineGeneral ChemistryCatalysisAngewandte Chemie International Edition
researchProduct

Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans -bis(CAAC) versus facile olefin formation for cis -bis(CAAC)

2022

A trans-bis(CAAC) was isolated and shown to be a ditopic ligand for rhodium and iridium. The cis-isomer is unstable towards intramolecular CC-bond formation, however, its formal insertion products into the bonds of H2O and NH3 were identified.

Materials ChemistryMetals and AlloysCeramics and CompositesGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChemical Communications
researchProduct

Paramagnetic aluminium β-diketiminate

2012

The β-diketiminate ligand framework is shown to undergo reduction to form a neutral main group radical stabilized by spiroconjugation of the unpaired electron over the group 13 element centre. The synthesized paramagnetic complex was characterized by EPR spectroscopy and computational chemistry.

ChemistryLigandInorganic chemistryMetals and AlloysGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionParamagnetismCrystallographyUnpaired electronlawGroup (periodic table)Materials ChemistryCeramics and CompositesElectron paramagnetic resonanceta116Chemical Communications
researchProduct

Ammonia Activation by a Nickel NCN-Pincer Complex featuring a Non-Innocent N-Heterocyclic Carbene: Ammine and Amido Complexes in Equilibrium

2015

A Ni0-NCN pincer complex featuring a six-membered N-heterocyclic carbene (NHC) central platform and amidine pendant arms was synthesized by deprotonation of its NiII precursor. It retained chloride in the square-planar coordination sphere of nickel and was expected to be highly susceptible to oxidative addition reactions. The Ni0 complex rapidly activated ammonia at room temperature, in a ligand-assisted process where the carbene carbon atom played the unprecedented role of proton acceptor. For the first time, the coordinated (ammine) and activated (amido) species were observed together in solution, in a solvent-dependent equilibrium. A structural analysis of the Ni complexes provided insig…

Coordination spheretyppiliganditN-heterosykliset karbeenitammoniakkiPhotochemistryammoniaCatalysisAmidinenikkelikomopleksichemistry.chemical_compoundDeprotonationPolymer chemistrypincer ligandsN-heterocyclic carbenesta116bond activationChemistryLigandTransition metal carbene complexnickel complexGeneral ChemistryGeneral Medicinesidoksen aktivointiOxidative additionPincer movementCarbeneAngewandte Chemie
researchProduct

Unusual B4N2C2 Ligand in a Ruthenium Pseudo-Triple-Decker Sandwich Complex Displaying Three Reversible Electron-Transfer Steps

2008

Open, sesame: The reaction of a heterobicyclic pentalenediyl-like Me2Ph4B4N2C2 dianion with [{(C5Me5)RuCl}4] cleaves the N[BOND]N bond of the ligand and affords a pseudo-triple-decker sandwich complex containing a B4N2C2 middle deck (see picture). This eight-membered ring features nearly linear B-N-B moieties and brings the ruthenium centers unusually close. Cyclic voltammetry indicates efficient electron delocalization over the framework. peerReviewed

boori-typpi yhdisteetruthenium complexboron-nitrogen compoundsGeneral Medicineruteenikompleksi
researchProduct

N-Heterocyclic Carbenes with Inorganic Backbones:  Electronic Structures and Ligand Properties

2008

The electronic structures of known N-heterocyclic carbenes (NHCs) with boron, nitrogen, and phosphorus backbones are examined using quantum chemical methods and compared to the experimental results and to the computational data obtained for a classical carbon analogue, imidazol-2-ylidene. The sigma-donor and pi-acceptor abilities of the studied NHCs in selected transition-metal complexes are evaluated using a variety of approaches such as energy and charge decomposition analysis, as well as calculated acidity constants and carbonyl stretching frequencies. The study shows that the introduction of selected heteroatoms into the NHC backbone generally leads to stronger metal-carbene bonds and t…

LigandInorganic chemistryHeteroatomchemistry.chemical_elementInteraction energyNitrogenInorganic ChemistryMetalchemistryComputational chemistryGroup (periodic table)visual_artvisual_art.visual_art_mediumPhysical and Theoretical ChemistryBoronCarbonInorganic Chemistry
researchProduct

Side‐on Coordination in Isostructural Nitrous Oxide and Carbon Dioxide Complexes of Nickel

2021

Abstract A nickel complex incorporating an N2O ligand with a rare η2‐N,N′‐coordination mode was isolated and characterized by X‐ray crystallography, as well as by IR and solid‐state NMR spectroscopy augmented by 15N‐labeling experiments. The isoelectronic nickel CO2 complex reported for comparison features a very similar solid‐state structure. Computational studies revealed that η2‐N2O binds to nickel slightly stronger than η2‐CO2 in this case, and comparably to or slightly stronger than η2‐CO2 to transition metals in general. Comparable transition‐state energies for the formation of isomeric η2‐N,N′‐ and η2‐N,O‐complexes, and a negligible activation barrier for the decomposition of the lat…

hiilidioksidityppioksidinitrous oxideback bonding010405 organic chemistryCommunicationcarbon dioxidekompleksiyhdisteetGeneral Medicineequipment and supplies010402 general chemistry01 natural sciencesCommunications0104 chemical sciencesnickelNickel Complexes | Very Important PaperN-heterocyclic carbenesnikkeliN-heterocyclic carbeneAngewandte Chemie
researchProduct

Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes

2009

The reaction of Cp(x)(2)ZrCl(2) (Cp(x) = Cp, Cp*) with ammonia borane in presence of n-butyllithium yielded Cp(2)Zr(Cl)NH(2)BH(3) and Cp(x)(2)Zr(H)NH(2)BH(3). These derivatives are isoelectronic with the ethyl zirconocene chloride and hydride, respectively, and feature a chelating amidoborane ligand coordinating through a Zr-N bond and a Zr-H-B bridge. In solution, each of the complexes consists of an equilibrium mixture of two isomers differing in the orientation of the amidoborane ligand with respect to the Zr-X bond (X = H, Cl), while in the solid state, only one isomer was observed. Such isomers have not been characterized for any metal complexes containing the isoelectronic beta-agosti…

chemistry.chemical_classificationAgostic interactionLigandHydrideStereochemistryAmmonia boraneGeneral ChemistryBiochemistryChlorideMedicinal chemistryCatalysisMetalchemistry.chemical_compoundColloid and Surface Chemistrychemistryvisual_artvisual_art.visual_art_mediummedicineChelationAlkylmedicine.drugJournal of the American Chemical Society
researchProduct

Assembly of a planar, tricyclic B4N8 framework with s-indacene structure.

2007

A neutral, formally 16pi-electron, tricyclic tetrahydrazidotetraborane was obtained in a two-step procedure involving self-assembly of a dilithiodiborate with B(4)N(8) framework and subsequent oxidation of the phenylborate moieties to boranes and biphenyl using Fe(II) as an oxidant.

Biphenylchemistry.chemical_classificationChemistryMetals and AlloysBoranesGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundPlanarComputational chemistryMaterials ChemistryCeramics and CompositesOrganic chemistryTricyclicChemical communications (Cambridge, England)
researchProduct

Unusual B4N2C2 Ligand in a Ruthenium Pseudo-Triple-Decker Sandwich Complex Displaying Three Reversible Electron-Transfer Steps

2007

Electron transferchemistryLigandchemistry.chemical_elementGeneral ChemistryCyclic voltammetryPhotochemistryBoronNitrogenCombinatorial chemistryCatalysisRutheniumAngewandte Chemie International Edition
researchProduct

Nickel as a Lewis Base in a T‐Shaped Nickel(0) Germylene Complex Incorporating a Flexible Bis(NHC) Ligand

2018

Flexible, chelating bis(NHC) ligand 2, able to accommodate both cis- and trans-coordination modes, was used to synthesize (2)Ni(η 2 -cod), 3. In reaction with GeCl2, this produced (2)NiGeCl2, 4, featuring a T-shaped Ni(0) and a pyramidal Ge center. Complex 4 could also be prepared from [(2)GeCl]Cl, 5, and Ni(cod)2, in a reaction that formally involved Ni-Ge transmetalation, followed by coordination of the extruded GeCl2 moiety to Ni. A computational analysis showed that 4 possesses considerable multiconfigurational character and the Ni→Ge bond is formed through σ-donation from the Ni 4s, 4p, and 3d orbitals to Ge. (NHC)2Ni(cod) complexes 9 and 10, as well as (NHC)2GeCl2 derivative 11, incor…

chemistry.chemical_elementBite angleorganometalliyhdisteet010402 general chemistry01 natural sciencesCatalysisTransmetalationchemistry.chemical_compoundnickelPolymer chemistryMoietyChelationLewis acids and basesN-heterocyclic carbenesta116010405 organic chemistryLigandGeneral MedicineGeneral Chemistrykompleksiyhdisteet0104 chemical sciencesT-geometryNickelgermaniummetal-only Lewis pairschemistrynikkeliDerivative (chemistry)Angewandte Chemie International Edition
researchProduct

Isolation of Free Phenylide-like Carbanions with N-Heterocyclic Carbene Frameworks

2009

A series of 1,3-bis(2,6-diisopropylphenyl)-5-methyl-1,3-diaza-4,6-diborabenzenes with methyl, phenyl, and dimethylamino substituents on the ring boron atoms were prepared using the cyclocondensation reaction between N,N′-bis(2,6-diisopropylphenyl)trimethylsilylformamidine and the appropriately substituted 1,1-bis(organochloroboryl)ethane, followed by deprotonation of the cationic ring intermediate. The planar, heterocyclic benzene analogues could be further deprotonated at the other ring carbon using an additional equivalent of potassium hexamethyldisilazide to yield organometallic derivatives akin to the potassium phenylide. The potassium cations could be efficiently sequestered in both so…

carbanionsN-heterosykliset karbeenitN-heterocyclic carbeneskarbanionit
researchProduct

Haptotropism in a Nickel Complex with a Neutral, π‐Bridging cyclo‐P4 Ligand Analogous to Cyclobutadiene

2022

The reaction of ( 1 )Ni(η 2 -cod), 2 , incorporating a chelating bis( N -heterocyclic carbene) 1 , with P 4 in pentane yielded the dinuclear complex [( 2 )Ni] 2 (μ 2 ,η 2 :η 2 -P 4 ), 3 , formally featuring a cyclobutadiene-like, neutral, rectangular, π-bridging P 4 -ring. In toluene, the butterfly-shaped complex [( 1 )Ni] 2 (μ 2 ,η 2 :η 2 -P 2 ), 4 , with a formally neutral P 2 -unit was obtained from 2 and either P 4 or 3 . Computational studies showed that a low energy barrier haptotropic rearrangement involving two isomers of the μ 2 ,η 2 :η 2 -P 4 coordination mode and a low energy μ 2 ,η 4 :η 4 -P 4 coordination mode, as previously predicted for related nickel cyclobutadiene complexes…

nickelkompleksiyhdisteetphosphorushaptotropismnikkeliN-heterocyclic carbenefosforiπ-ligands
researchProduct

N-Heterocyclic Carbenes with Inorganic Backbones: Electronic Structures and Ligand Properties

2008

The electronic structures of known N-heterocyclic carbenes (NHCs) with boron, nitrogen, and phosphorus backbones are examined using quantum chemical methods and compared to the experimental results and to the computational data obtained for a classical carbon analogue, imidazol-2-ylidene. The σ-donor and π-acceptor abilities of the studied NHCs in selected transition-metal complexes are evaluated using a variety of approaches such as energy and charge decomposition analysis, as well as calculated acidity constants and carbonyl stretching frequencies. The study shows that the introduction of selected heteroatoms into the NHC backbone generally leads to stronger metal−carbene bonds and theref…

N-heterosykliset karbeenitN-heterocyclic carbeneselectronic structureelektronirakenne
researchProduct

Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes

2009

The reaction of Cpx2ZrCl2 (Cpx = Cp, Cp*) with ammonia borane in presence of n-butyllithium yielded Cp2Zr(Cl)NH2BH3 and Cpx2Zr(H)NH2BH3. These derivatives are isoelectronic with the ethyl zirconocene chloride and hydride, respectively, and feature a chelating amidoborane ligand coordinating through a Zr−N bond and a Zr−H−B bridge. In solution, each of the complexes consists of an equilibrium mixture of two isomers differing in the orientation of the amidoborane ligand with respect to the Zr−X bond (X = H, Cl), while in the solid state, only one isomer was observed. Such isomers have not been characterized for any metal complexes containing the isoelectronic β-agostic ethyl ligand or any oth…

amidoboranesamidoboraanit
researchProduct

Paramagnetic aluminium β-diketiminate

2012

The β-diketiminate ligand framework is shown to undergo reduction to form a neutral main group radical stabilized by spiroconjugation of the unpaired electron over the group 13 element centre. The synthesized paramagnetic complex was characterized by EPR spectroscopy and computational chemistry. peerReviewed

beta-diketiminate ligandstable radicalspysyvät radikaalitbeta-diketiminaattiligandi
researchProduct

Electronic Structures of Main-Group Carbene Analogues

2007

The electronic structures of 15 group 13−16 carbene analogues are analyzed using various quantum chemical methods and compared to the data obtained for the parent N-heterocyclic carbene (NHC), imidazol-2-ylidene. The results of this study present a uniform analysis of the similarities and differences in the electronic structures of p-block main-group carbene analogues. Though all systems are formally isovalent, the theoretical analyses unambiguously indicate that their electronic structures run the gamut from CC localized (group 13) to CN localized (group 16) via intermediate, more delocalized, systems. In particular, neither the stibenium ion nor any of the chalcogenium dications is a dire…

N-heterosykliset karbeenitN-heterocyclic carbeneselectronic structureelektronirakenne
researchProduct

A σ-Donor with a Planar Six-π-Electron B2N2C2 Framework: Anionic N-Heterocyclic Carbene or Heterocyclic Terphenyl Anion?

2006

NB! The anionic ligand 2 was synthesized through deprotonation of a planar, formally zwitterionic diazadiborine precursor, isolated as a lithium salt, and structurally characterized. According to experimental evidence and theoretical calculations, 2 can be considered as an intermediate between two classical classes of ligands: N-heterocyclic carbenes 1 and terphenyls 3. peerReviewed

N-heterosykliset karbeenitN-heterocyclic carbenesterphenylsterfenyylit
researchProduct

Assembly of a planar, tricyclic B4N8 framework with s-indacene structure

2007

A neutral, formally 16π-electron, tricyclic tetrahydrazidotetraborane was obtained in a two-step procedure involving self-assembly of a dilithiodiborate with B4N8 framework and subsequent oxidation of the phenylborate moieties to boranes and biphenyl using Fe(II) as an oxidant. peerReviewed

boori-typpi yhdisteetboron-nitrogen compounds
researchProduct

Bis[cyclic (alkyl)(amino)carbene] isomers : Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)

2022

Isomeric bis(aldiminium) salts with a 1,4-cyclohexylene framework were synthesized. The first isolable bis(CAAC) was prepared from the trans-stereoisomer and its ditopic ligand competency was proven by conversion to iridium(I) and rhodium(I) complexes. Upon deprotonation, the cis-isomer yielded an electron rich olefin via a classic, proton-catalyzed pathway. The C[double bond, length as m-dash]C bond formation from the desired cis-bis(CAAC) was shown to be thermodynamically very favorable and to involve a small activation barrier. Compounds that can be described as insertion products of the cis-bis(CAAC) into the E–H bonds of NH3, CH3CN and H2O were also identified. peerReviewed

kemialliset yhdisteetisomeria
researchProduct

More electron rich than cyclopentadienyl: 1,2-diaza-3,5-diborolyl as a ligand in ferrocene and ruthenocene analogs

2011

Ruthenium and iron sandwich complexes incorporating cyclopentadienyl analogs with CB2N2− skeletons were characterized. Electrochemical measurements supported by computational studies revealed that in combination with larger metal ions such as Ru the CB2N2− ligand can be more electron-rich than its organic counterpart. peerReviewed

cyclopentadienyl analoguessyklopentadienyylianalogit
researchProduct

CCDC 1861477: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters111-di-t-butyl-12-chloro-671111a1212a-hexahydro-1H5H-diimidazo[12-a:2'1'-d][153]diazagermocin-12-ylium chlorideExperimental 3D Coordinates
researchProduct

CCDC 1861476: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal Structure(11'-(propane-13-diyl)bis(3-t-butyl-imidazol-2-ylidene))-(cycloocta-15-diene)-nickel(0)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1861475: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1414-dichloro-113-bis[26-bis(propan-2-yl)phenyl]-6688-tetramethyl-56891313a1414a-octahydro-1H-diimidazo[12-d:2'1'-g][1482106]oxadiazadisilastannecine tetrahydrofuran unknown solvateExperimental 3D Coordinates
researchProduct

CCDC 1861479: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal Structurebis[13-bis(22-dimethylpropyl)-23-dihydro-1H-132-diazagermol-2-yl]-bis[13-bis(22-dimethylpropyl)-23-dihydro-1H-132-diazagermol-2-yl]-nickelCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2115737: Experimental Crystal Structure Determination

2022

Related Article: Chris Gendy, Juuso Valjus, Roland Roesler, Heikki M. Tuononen|2022|Angew.Chem.,Int.Ed.|61|e202115692|doi:10.1002/anie.202115692

Space GroupCrystallographyCrystal SystemCrystal Structure(mu-tetraphosphete)-bis(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]imidazol-2-ylidene})-di-nickel(0) unknown solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1405505: Experimental Crystal Structure Determination

2015

Related Article: Rudy M. Brown, Javier Borau Garcia, Juuso Valjus, Christopher J. Roberts, Heikki M. Tuononen, Masood Parvez, and Roland Roesler|2015|Angew.Chem.,Int.Ed.|54|6274|doi:10.1002/anie.201500453

(13-bis(((26-Di-isopropylphenyl)imino)(phenyl)methyl)hexahydropyrimidin-2-yl)-chloro-nickelSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2023412: Experimental Crystal Structure Determination

2020

Related Article: Braulio Michele Puerta Lombardi, Chris Gendy, Benjamin S. Gelfand, Guy M. Bernard, Roderick E. Wasylishen, Heikki M. Tuononen, Roland Roesler|2021|Angew.Chem.,Int.Ed.|60|7077|doi:10.1002/anie.202011301

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(11'-[(dimethylsilanediyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-23-dihydro-1H-imidazol-2-ylidene})-(nitrous amido)-nickel 12-xylene solvateExperimental 3D Coordinates
researchProduct

CCDC 2131009: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

210-bis[26-bis(propan-2-yl)phenyl]-331111-tetramethyl-210-diazadispiro[4.2.48.25]tetradeca-19-diene-210-diium bis(tetrafluoroborate) dichloromethane unknown solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2131017: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters18-bis[26-bis(propan-2-yl)phenyl]-2277-tetramethyldecahydro-3a5a-ethanooxepino[23-b:76-b']dipyrroleExperimental 3D Coordinates
researchProduct

CCDC 2131011: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates(mu-210-bis[26-bis(propan-2-yl)phenyl]-331111-tetramethyl-210-diazadispiro[4.2.48.25]tetradecane-19-diylidene)-dichloro-dicarbonyl-bis(triphenylphosphine)-di-iridium(i) benzene solvate
researchProduct

CCDC 2115739: Experimental Crystal Structure Determination

2022

Related Article: Chris Gendy, Juuso Valjus, Roland Roesler, Heikki M. Tuononen|2022|Angew.Chem.,Int.Ed.|61|e202115692|doi:10.1002/anie.202115692

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]imidazol-2-ylidene})-(357-tris(trimethylsilyl)bicyclo[2.2.1]heptaphosphane-26-diido)-nickel unknown solvate
researchProduct

CCDC 1861473: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-imidazol-2-ylidene})-dichloro-germanium-nickel(0) toluene unknown solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2023411: Experimental Crystal Structure Determination

2020

Related Article: Braulio Michele Puerta Lombardi, Chris Gendy, Benjamin S. Gelfand, Guy M. Bernard, Roderick E. Wasylishen, Heikki M. Tuononen, Roland Roesler|2021|Angew.Chem.,Int.Ed.|60|7077|doi:10.1002/anie.202011301

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(11'-[(dimethylsilanediyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-23-dihydro-1H-imidazol-2-ylidene})-(eta2-cycloocta-15-diene)-nickelExperimental 3D Coordinates
researchProduct

CCDC 1861471: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters33'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{1-[26-bis(propan-2-yl)phenyl]-1H-imidazol-3-ium} diiodideExperimental 3D Coordinates
researchProduct

CCDC 2115738: Experimental Crystal Structure Determination

2022

Related Article: Chris Gendy, Juuso Valjus, Roland Roesler, Heikki M. Tuononen|2022|Angew.Chem.,Int.Ed.|61|e202115692|doi:10.1002/anie.202115692

Space GroupCrystallographyCrystal SystemCrystal Structure(mu-diphosphene-12-diyl)-bis(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]imidazol-2-ylidene})-di-nickel unknown solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2131016: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters22'-{210-bis[26-bis(propan-2-yl)phenyl]-331111-tetramethyl-210-diazadispiro[4.2.48.25]tetradecane-19-diyl}diacetonitrile acetonitrile solvateExperimental 3D Coordinates
researchProduct

CCDC 868803: Experimental Crystal Structure Determination

2016

Related Article: Jani Moilanen, Javier Borau-Garcia, Roland Roesler and Heikki M. Tuononen|2012|Chem.Commun.|48|8949|doi:10.1039/C2CC34051H

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersmethyl-bis(bis(2-pyridyl)methanide)-aluminiumExperimental 3D Coordinates
researchProduct

CCDC 2023413: Experimental Crystal Structure Determination

2020

Related Article: Braulio Michele Puerta Lombardi, Chris Gendy, Benjamin S. Gelfand, Guy M. Bernard, Roderick E. Wasylishen, Heikki M. Tuononen, Roland Roesler|2021|Angew.Chem.,Int.Ed.|60|7077|doi:10.1002/anie.202011301

Space GroupCrystallographyCrystal System(11'-[(dimethylsilanediyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-23-dihydro-1H-imidazol-2-ylidene})-(formato)-nickel tetrahydrofuran solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1861472: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal System(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-imidazol-2-ylidene})-(cycloocta-15-diene)-nickel(0)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1861474: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-imidazol-2-ylidene})-chloro-germanium chloride unknown solvate
researchProduct

CCDC 2131007: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(cyclohexane-14-diyl)bis{N-[26-bis(propan-2-yl)phenyl]methanimine}Experimental 3D Coordinates
researchProduct

CCDC 2131010: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters210-bis[26-bis(propan-2-yl)phenyl]-331111-tetramethyl-210-diazadispiro[4.2.48.25]tetradecane-19-diylideneExperimental 3D Coordinates
researchProduct

CCDC 1861478: Experimental Crystal Structure Determination

2018

Related Article: Chris Gendy, Akseli Mansikkamäki, Juuso Valjus, Joshua Heidebrecht, Paul Chuk-Yan Hui, Guy M. Bernard, Heikki M. Tuononen, Roderick E. Wasylishen, Vladimir K. Michaelis, Roland Roesler|2019|Angew.Chem.,Int.Ed.|58|154|doi:10.1002/anie.201809889

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(11'-[(1133-tetramethyldisiloxane-13-diyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-imidazol-2-ylidene})-pyridine-nickel(0) unknown solvateExperimental 3D Coordinates
researchProduct

CCDC 2131013: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters18-bis[26-bis(propan-2-yl)phenyl]-2277-tetramethyl-12345678-octahydro-3a5a-ethanopyrrolo[32-g]indoleExperimental 3D Coordinates
researchProduct

CCDC 2023414: Experimental Crystal Structure Determination

2020

Related Article: Braulio Michele Puerta Lombardi, Chris Gendy, Benjamin S. Gelfand, Guy M. Bernard, Roderick E. Wasylishen, Heikki M. Tuononen, Roland Roesler|2021|Angew.Chem.,Int.Ed.|60|7077|doi:10.1002/anie.202011301

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters11'-[(dimethylsilanediyl)bis(methylene)]bis{3-[26-bis(propan-2-yl)phenyl]-1H-imidazol-3-ium} bis[tetraphenylborate] unknown solvateExperimental 3D Coordinates
researchProduct

CCDC 2131014: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

(18-bis[26-bis(propan-2-yl)phenyl]-2277-tetramethyl-12345678-octahydro-3a5a-ethanopyrrolo[32-g]indol-1-ium radical) tetrafluoroborate unknown solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1405504: Experimental Crystal Structure Determination

2015

Related Article: Rudy M. Brown, Javier Borau Garcia, Juuso Valjus, Christopher J. Roberts, Heikki M. Tuononen, Masood Parvez, and Roland Roesler|2015|Angew.Chem.,Int.Ed.|54|6274|doi:10.1002/anie.201500453

Space GroupCrystallographyPotassium (13-bis(alpha-(26-di-isopropylphenylimino)benzyl)hexahydropyrimidin-2-ylidene)-chloro-nickel toluene solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2131015: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters18-bis[26-bis(propan-2-yl)phenyl]-2277-tetramethyldecahydro-1H-3a5a-ethanodipyrrolo[23-b:3'2'-f]azepineExperimental 3D Coordinates
researchProduct

CCDC 2131012: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-210-bis[26-bis(propan-2-yl)phenyl]-331111-tetramethyl-210-diazadispiro[4.2.48.25]tetradecane-19-diylidene)-bis(cycloocta-15-diene)-dichloro-di-rhodium(i)Experimental 3D Coordinates
researchProduct

CCDC 2131008: Experimental Crystal Structure Determination

2022

Related Article: Braulio M. Puerta Lombardi, Ethan R. Pezoulas, Roope A. Suvinen, Alexander Harrison, Zachary S. Dubrawski, Benjamin S. Gelfand, Heikki M. Tuononen, Roland Roesler|2022|Chem.Commun.|58|6482|doi:10.1039/D2CC01476A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters210-bis[26-bis(propan-2-yl)phenyl]-331111-tetramethyl-210-diazadispiro[4.2.48.25]tetradeca-19-diene-210-diium bis(tetrafluoroborate)Experimental 3D Coordinates
researchProduct