Sequential catalytic role of bifunctional bicyclic guanidine in asymmetric phospha-Michael reaction

The catalytic mechanism and origin of enantioselectivity of bicyclic guanidine-catalyzed phospha-Michael reaction between diphenyl phosphine oxide and β-nitrostyrene were investigated by DFT calculations at M06-2X/cc-pVTZ//M06-2X/cc-pVDZ level in conjunction with the implicit SMD solvation method. T...

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Veröffentlicht in:Organic & biomolecular chemistry 2011-06, Vol.9 (12), p.4550-4557
Hauptverfasser: Cho, Bokun, Tan, Choon-Hong, Wong, Ming Wah
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Sprache:eng
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