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Volumn 27, Issue 13, 2008, Pages 2937-2948

A chiral phosphoramidite beyond monodentate coordination: Secondary π-interactions turn a dangling aryl into a two-, four-, or six-electron donor in d6 and d8 complexes

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DONORS; MONODENTATE COORDINATION; PHOSPHORAMIDITE; SECONDARY INTERACTIONS;

EID: 47949116330     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om800064r     Document Type: Article
Times cited : (42)

References (89)
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    • We use here the convention suggested by Faller and Sarantopoulos, 13d which regards the allyl as an 18-electron pseudoatom placed at the centroid of the allyl. Stereodescriptors assume that the priorities are allyl > P > 1,2-η-phenyl and the centroid of the allyl is out of the plane in the direction of the central carbon atom
    • 13d which regards the allyl as an 18-electron pseudoatom placed at the centroid of the allyl. Stereodescriptors assume that the priorities are allyl > P > 1,2-η-phenyl and the centroid of the allyl is out of the plane in the direction of the central carbon atom.
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    • Filippuzzi, S.; Pregosin, P. S.; Calhorda, M. J.; Costa, P. J. Organometallics 2008, 27, 2949, next paper in this issue. Details of DFT calculations: Amsterdam Density Functional (ADF2006) program, gradient-corrected geometry optimizations without symmetry constraints, local density approximation of the correlation energy (Vosko, Wilk, Nusair), exchange-correlation functionals of Perdew and Wang (PW91), ZORA approximation for relativistic effects, triple-ζ Slater-type orbital (STO) basis set augmented by two polarization functions (Pd, Ru, P, O, C, N, and H atoms), frozen core approximation for the core electrons: (1s) for C, O, and N, (1s, 2p) for P, ([1-3]s, [2-3]p, 3d) for Pd and Ru.
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    • As this absolute configuration is opposite that of 4a, the ligands depicted in Figures 2 and 4 are enantiomers.
    • As this absolute configuration is opposite that of 4a, the ligands depicted in Figures 2 and 4 are enantiomers.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.