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Volumn 46, Issue 30, 2007, Pages 5750-5753

Tuning the reactivity of dirhodium(II) complexes with axial N-heterocyclic carbene ligands: The arylation of aldehydes

Author keywords

Aldehydes; Arylation; Carbene ligands; Homogeneous catalysis; Rhodium

Indexed keywords

ALDEHYDES; CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; RHODIUM;

EID: 34547466704     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200700924     Document Type: Article
Times cited : (116)

References (39)
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    • Crystallographic data for 20: C83H108N 4O8Rh2, Mr, 1495.55, orange crystals, 0.18 x 0.16 x 0.12 mm3, triclinic, space group P1, a, 12.6540(2, b, 18.2140(3, c, 19.1580(3) Å, α, 103.5840(10, β, 101.3890(10, γ, 101.8950(10)°, V, 4057.10(11) Å3, Z, 2, T, 150 K, ρcalcd, 1.224 Mgm-3, μ, 0.460 mm-1, F(000, 1576. For 21: C42H44N 2O4Rh, Mr= 743.7, orange crystals, 0.15 x 0.11 x 0.10 mm3, triclinic, space group P1, a, 11.256(2, b, 12.538(3, c, 15.367(5) Å, α, 69.63(2, β, 84.172(2, γ, 77.614(3)°, V, 1984.7(9) Å3, Z, 2, T, 150 K, ρcalcd, 1-244 Mgm-3, μ
    • int = 0.0711); 411 variables were refined to final R1(I>2σ(I)) = 0.0675, wR2(I>2σ(I)) = 0.1714, R1(all data) = 0.0945, wR2(all data) = 0.2028, GOF = 1.170. CCDC-639254 (20) and CCDC-644438 (21) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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    • The optimizations were performed at the B3PW91/VDZP level with the Gaussian98 package. Details and references are provided as Supporting Information.
    • The optimizations were performed at the B3PW91/VDZP level with the Gaussian98 package. Details and references are provided as Supporting Information.
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    • The calculated structures are depicted in the Supporting Information
    • The calculated structures are depicted in the Supporting Information.
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    • 4(NHC)].
    • 4(NHC)].
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    • Wiberg indices are electronic parameters that are related to the electron density between atoms. They can be obtained from a natural population analysis and provide an indication of the bond strength
    • b) Wiberg indices are electronic parameters that are related to the electron density between atoms. They can be obtained from a natural population analysis and provide an indication of the bond strength.
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    • All charges reported result from a natural population analysis. See the Supporting Information for details
    • All charges reported result from a natural population analysis. See the Supporting Information for details.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.