Hydroxyphosphine-catalysed Staudinger Reduction (thesis chapter)

This folder contains the optimised structures of the study of hydroxyphosphine bifunctional catalyst. The folder structure is organised as below: 0. /0_sm_prd/ contains the starting materials and products for the reaction 1. /1_equatorial_catalyst_Figures_1_2ab/ contains the structures for the pathways from equatorial form of the catalyst; these structures are those in Figures 1A in the main text and S2 in the ESI 2. /2_catalyst_regeneration_Figure_2c/ contains structures for the regeneration of the hydroxyphosphine catalyst from the hydridophosphoranes; these structures are those in Figures 1B in the main text 3. /3_axial_catalyst_Figure_S8/ contains the structures for the pathways from axial form of the catalyst, for completeness; these structures are those in Figures S7 in the ESI 4. /4_reduction_of_aminophosphoranes_Figure_S3/ contains structures and interconversions of aminophosphoranes and their reductions by phenylsilane; these structures are those in Figures S3 in the ESI 5. /5_alternative_mechanism_Figures_S7_S9/ contains structures for alternative pathways involving the stepwise reduction of phosphazide intermediate by phenylsilane reductant; these structures are those in Figures S6 and S8 in the ESI 6. /6_MeO_catalyst_1b/ contains structures for the pathway using methoxylated catalyst 1b 7. /7_PPh3_catalyst/ contains structures for the pathway using triphenylphosphine catalyst