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4 results on '"BITE-ANGLE"'

1. Crystal structure of a palladium(II) complex containing the wide bite-angle bis(selenium) ligand, cis-[(tBuNH)(Se)P(μ-NtBu)2P(Se)(NHtBu)].

Author

Bonnette, Austin, Chandrasekaran, Perumalreddy, and Mague, Joel T.

Subjects
*PALLADIUM compounds, *CRYSTAL structure, *LIGANDS (Chemistry), *CRYSTALLOGRAPHY
Abstract

A palladium(II) complex {systematic name: dichlorido[1,3-di-tert-butyl-2,4- bis(tert-butylamino)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diselone-k²Se,Se']palladium(II)}, cis-[PdCl2{I}], (II), containing a bis(selenium) ligand based on cyclodiphosph(V)azane, cis-[(tBuNH)(Se)P('-NtBu)2P(Se)(NHtBu)], (I), has been synthesized and structurally characterized. The crystal structure of complex II reveals that the ligand chelates through selenium donors with the natural bite-angle of 110.54 (1)° and a Pd--Se bond distance of 2.444 (1) Å. The coordination around PdII shows a slightly distorted square-planar geometry, as indicated by the angle between the [PdCl2] and [PdSe2] planes of 5.92 (3)°. In the crystal, the molecules are interlinked through weak N--H. . .l and C-- H. . .l hydrogen-bonding interactions. [ABSTRACT FROM AUTHOR]

Published
2018
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2. gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation

Author

Charles Romain, James D. Nobbs, Andrew J. P. White, Srinivasulu Aitipamula, Martin van Meurs, George J. P. Britovsek, and Dillon W. P. Tay

Subjects
Steric effects, PHOSPHORUS LIGANDS, CYCLIC SULFATES, Denticity, BITE-ANGLE, 0904 Chemical Engineering, chemistry.chemical_element, chelate, Bite angle, 010402 general chemistry, 0305 Organic Chemistry, 01 natural sciences, Medicinal chemistry, Catalysis, bidentate, 0302 Inorganic Chemistry, Chelation, hydroformylation, BASIS-SETS, ISOMERIZATION, Science & Technology, Chemistry, Physical, 010405 organic chemistry, Chemistry, Thorpe-Ingold, METAL-CATALYSTS, General Chemistry, 0104 chemical sciences, Physical Sciences, gem-dialkyl, COMPLEXES, diphosphine, Isomerization, Hydroformylation, Palladium
Abstract

A series of palladium complexes with C3-bridged bidentate bis(diphenylphosphino)propane ligands with substituents of varying steric bulk at the central carbon have been synthesized. The size of the gem-dialkyl substituents affects the C–C–C bond angles within the ligands and consequently the P–M–P ligand bite angles. A combination of solid-state X-ray diffraction (XRD) and density functional theory (DFT) studies has shown that an increase in substituent size results in a distortion of the 6-membered metal–ligand chair conformation toward a boat conformation, to avoid bond angle strain. The influence of the gem-dialkyl effect on the catalytic performance of the complexes in palladium-catalyzed hydroformylation of 1-octene has been investigated. While hydroformylation activity to nonanal decreases with increasing size of the gem-dialkyl substituents, a change in chemoselectivity toward nonanol via reductive hydroformylation is observed.

Published
2019

3. Crystal structure of a palladium(II) complex containing the wide bite-angle bis-(selenium) ligand

Author

Austin, Bonnette, Joel T, Mague, and Perumalreddy, Chandrasekaran

Subjects
inorganic chemicals, crystal structure, selenium ligand, P-N compounds, bite-angle, cyclo­diphosphaza­nes, Research Communications, palladium(II) complex
Abstract

A palladium(II) complex containing a bis­(selenium) ligand based on cyclo­diphosph(V)azane, cis-[(tBuNH)(Se)P(μ-NtBu)2P(Se)(NHtBu)] has been synthesized and structurally characterized. The crystal structure revels chelation of ligand through selenium donors with a natural bite-angle of 110.54 (1)°, A palladium(II) complex {systematic name: dichlorido[1,3-di-tert-butyl-2,4-bis(tert-butylamino)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diselone-κ2 Se,Se′]pal­ladium(II)}, cis-[PdCl2{I}], (II), containing a bis­(selenium) ligand based on cyclo­diphosph(V)azane, cis-[(tBuNH)(Se)P(μ-NtBu)2P(Se)(NHtBu)], (I), has been synthesized and structurally characterized. The crystal structure of complex II reveals that the ligand chelates through selenium donors with the natural bite-angle of 110.54 (1)° and a Pd—Se bond distance of 2.444 (1) Å. The coordination around PdII shows a slightly distorted square-planar geometry, as indicated by the angle between the [PdCl2] and [PdSe2] planes of 5.92 (3)°. In the crystal, the mol­ecules are inter­linked through weak N—H⋯Cl and C—H⋯Cl hydrogen-bonding inter­actions.

Published
2017

4. Crystal structure of a palladium(II) complex containing the wide bite-angle bis-(selenium) ligand, cis -[( t BuNH)(Se)P(μ-N t Bu) 2 P(Se)(NH t Bu)].

Author

Bonnette A, Mague JT, and Chandrasekaran P

Abstract

A palladium(II) complex {systematic name: dichlorido[1,3-di- tert -butyl-2,4-bis( tert -butylamino)-1,3,2λ 5 ,4λ 5 -diazadiphosphetidine-2,4-diselone-κ 2 Se , Se ']pal-ladium(II)}, cis -[PdCl 2 { I }], ( II ), containing a bis-(selenium) ligand based on cyclo-diphosph(V)azane, cis -[( t BuNH)(Se)P(μ-N t Bu) 2 P(Se)(NH t Bu)], ( I reveals that the ligand chelates through selenium donors with the natural bite-angle of 110.54 (1)° and a Pd-Se bond distance of 2.444 (1) Å. The coordination around Pd II reveals that the ligand chelates through selenium donors with the natural bite-angle of 110.54 (1)° and a Pd-Se bond distance of 2.444 (1) Å. The coordination around Pd II shows a slightly distorted square-planar geometry, as indicated by the angle between the [PdCl 2 ] and [PdSe 2 ] planes of 5.92 (3)°. In the crystal, the mol-ecules are inter-linked through weak N-H⋯Cl and C-H⋯Cl hydrogen-bonding inter-actions.

Published
2018
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