Table 2. Results of the NBO Analysis of YPhos Ligands, Observed P–C–Z Angles, and Their Measured TEP Values^a.

ligand	α-P–C–Z angle [deg]	σ(C) s-character	σ(C) p-character	bond polarization % P	bond polarization % C	TEP [cm–1]
L1	111.44	39.4%	60.5%	34.8%	65.2%	2057.1
keYPhos	117.17	33.5%	66.4%	36.5%	63.5%	2050.1
joYPhos	122.98	30.8%	69.1%	41.2%	58.8%	2049.3
L3	111.14	38.2%	61.8%	33.6%	66.3%	2061.3b
YSPCy2b	121.50	36.5%	63.5%	34.9%	65.1%	2057.0

^a

^bCalculated TEP from MESP.