Table 3. Computed Total Mulliken Spin Populations for Fluorotyrosine Models.

model	C1	C2	H/F2	C3	H/F3	O4	C5	H/F5	C6	H/F6
Phen	0.374	–0.119	0.005	0.262	–0.013	0.362	0.261	–0.013	–0.119	0.005
(3,5)F2-Phen	0.338	–0.109	0.004	0.231	0.019	0.357	0.230	0.019	–0.109	0.004
(2,3)F2-Phen	0.362	–0.114	–0.004	0.244	0.021	0.359	0.258	–0.013	–0.117	0.005
(2,3,5)F3-Phen	0.346	–0.089	–0.003	0.201	0.017	0.354	0.268	0.023	–0.131	0.005
(2,3,6)F3-Phen	0.368	–0.135	–0.005	0.299	0.027	0.351	0.200	–0.010	–0.085	–0.002