Search results for "Phosphole"

showing 10 items of 23 documents

CCDC 804806: Experimental Crystal Structure Determination

2013

Related Article: D.H.Nguyen, J.Bayardon, C.Salomon-Bertrand, S.Juge, P.Kalck, J.-C.Daran, M.Urrutigoity, M.Gouygou|2012|Organometallics|31|857|doi:10.1021/om2008265

(1-((lambda^5^-Boranyl(diphenyl)phosphoranyl)methyl)-25-diphenyl-1H-phosphole-HH'P)-(eta^2^eta^2^-cyclo-octa-15-diene)-rhodium tetrafluoroborateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 734965: Experimental Crystal Structure Determination

2010

Related Article: B.R.Aluri, S.Burck, D.Gudat, M.Niemeyer, O.Holloczki, L.Nyulaszi, P.G.Jones, J.Heinicke|2009|Chem.-Eur.J.|15|12263|doi:10.1002/chem.200901753

25-Dimethyl-1H-13-benzazaphospholeSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Structure, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. IV. Dihydrophospholophosphole isomers

2005

The geometry of the heteropentalenes formed by two phosphole units has been determined at the DFT level. The magnetic susceptibility and the nuclear magnetic shielding at the nuclei of these systems have also been calculated using gauge-including atomic orbitals and a large Gaussian basis set to achieve near Hartree-Fock estimates. A comparative study of the various isomers, of their flattened analogs, and of the parent phosphole molecule, shows that the [3,4-c] isomer is the most aromatic system in the set considered, assuming diatropicity and degree of planarity as indicators, even if it is the less stable in terms of total molecular energy. Plots of magnetic field-induced current densiti…

ChemistryHeteroatomPhospholeGeneral ChemistryElectronPi bondMolecular physicsMagnetic susceptibilityPlanarity testingComputational Mathematicschemistry.chemical_compoundAtomic orbitalComputational chemistryPhysics::Atomic and Molecular Clustersmagnetizability; nuclear magnetic shieldings; dihydrophospholophosphole isomersMoleculeJournal of Computational Chemistry
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Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions

2012

The synthesis of the phospholyl(phosphinoborane)methane air- and moisture-stable hybrid ligands 4a–f, starting from 1-phenylphospholes 1a–d, was performed via P–C bond coupling on the methano bridge. Two strategies were investigated, according to the phospholyl moiety used as a nucleophilic or an electrophilic reagent. In the first pathway, the phospholyl anions react with the easily available (chloromethyl)diphenylphosphine–borane 3 to afford ligands 4a–d in 29–67% isolated yields. In the second pathway, the phospholyl(dicyclohexylphosphinoborane)methane ligands 4e,f were synthesized in 18–23% yields, through a nucleophilic substitution on the cyanophosphole. Removal of the BH3 moiety on 4…

Organic ChemistryPhospholeDABCOBoraneMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundchemistryNucleophileElectrophileNucleophilic substitutionOrganic chemistryMoietyPhysical and Theoretical ChemistryPhosphineOrganometallics
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CCDC 747830: Experimental Crystal Structure Determination

2009

Related Article: S.D.Robertson, T.Chivers, H.M.Tuononen|2009|Inorg.Chem.|48|6755|doi:10.1021/ic900703e

Space GroupCrystallography1-((N-(Di-isopropylphosphorothioyl)-PP-di-isopropylphosphorimidoyl)sulfanyl)-3355-tetraisopropyl-12435-ditellurazadiphospholeCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 631690: Experimental Crystal Structure Determination

2007

Related Article: J.S.Ritch, T.Chivers, D.J.Eisler, H.M.Tuononen|2007|Chem.-Eur.J.|13|4643|doi:10.1002/chem.200700001

Space GroupCrystallographyCrystal System1-Iodo-3355-tetrakis(t-butyl)-12435-ditelluroazadiphospholeCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2034046: Experimental Crystal Structure Determination

2021

Related Article: Christine Salomon-Bertrand, J��r��me Bayardon, Hugo Laur��ano, Sylvain Jug��, Jean-Claude Daran, Maryse Gouygou|2021|J.Organomet.Chem.|938|121753|doi:10.1016/j.jorganchem.2021.121753

Space GroupCrystallographyCrystal System1-{[(boranyl)(2-methoxyphenyl)phenyl-phosphanyl]methyl}-2345-tetramethyl-1H-phospholeCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 712998: Experimental Crystal Structure Determination

2009

Related Article: S.D.Robertson, T.Chivers, H.M.Tuononen|2008|Inorg.Chem.|47|10634|doi:10.1021/ic801384c

Space GroupCrystallographyCrystal System2-Iodo-3355-tetraisopropyl-12435-selenatellurazadiphospholeCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 258388: Experimental Crystal Structure Determination

2005

Related Article: S.Burck, J.Daniels, T.Gans-Eichler, D.Gudat, K.Nattinen, M.Nieger|2005|Z.Anorg.Allg.Chem.|631|1403|doi:10.1002/zaac.200400538

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(13-Di-t-butyl-132-diazaphospholenium)-tricarbonyl-cobaltExperimental 3D Coordinates
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CCDC 631687: Experimental Crystal Structure Determination

2007

Related Article: J.S.Ritch, T.Chivers, D.J.Eisler, H.M.Tuononen|2007|Chem.-Eur.J.|13|4643|doi:10.1002/chem.200700001

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters11-(bis(bis(t-butyl)tellurophosphoryl)imine-TeTe')-3355-tetrakis(t-butyl)-12435-ditelluroazadiphospholeExperimental 3D Coordinates
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