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. 2018 Aug 1;8(48):27406–27416. doi: 10.1039/c8ra04703k

B3LYP/6-31G(d) dipole moment (in debye) and GEDT (in e), in the gas phase and solvents, of the TSs involved in the 32CA reactions of phosphorinium-3-olates 1a and 1b with MMA.

Gas phase THF EtOH
GEDT (e) Dipole moment (debye) GEDT (e) Dipole moment (debye) GEDT (e) Dipole moment (debye)
TS6n-H 0.01 5.891 0.01 8.025 0.01 8.519
TS6x-H 0.00 4.560 0.00 5.901 0.00 6.165
TS6n-Me 0.05 6.500 0.05 8.916 0.06 9.474
TS6x-Me 0.02 4.334 0.02 5.603 0.02 5.860
TS7n-H 0.01 4.824 0.01 6.991 0.01 7.519
TS7x-H 0.02 3.637 0.02 5.140 0.01 5.509
TS7n-Me 0.02 5.584 0.02 7.948 0.04 8.514
TS7x-Me 0.06 4.249 0.06 5.992 0.06 6.420