Philicity and Fugality Scales for Organic Reactions

Table 3

Experimental electrophilicity of the benzhydryl cations; regional nucleophilicity at fragment R, N(R), and at fragment LG, N(LG), in the complex R-LG; experimental and predicted electrofugality of benzhydryl cations. Adapted with permission from [25].

Entry		N(R) (eV)	N(LG) (eV)	%N(R)
1	5.90	−8.67	−0.08	99.1	−6.05
2	3.63	−8.37	−0.06	99.3	−3.47
3	2.90	−8.29	−0.03	99.6	−3.55
4	2.11	−8.16	−0.03	99.7	−2.06
5	1.48	−8.10	−0.03	99.6	−1.29
6	0.61	−8.13	−0.05	99.3	−0.81
7	0.00	−8.03	−0.04	99.5	0.00
8	−0.56	−7.94	−0.03	99.6
9	−1.36	−7.91	−0.04	99.5
10	−3.14	−7.75	−0.03	99.6
11	−3.89	−7.91	−0.03	99.6
	−4.72	—	—	—	—
13	−5.53	−7.94	−0.03	99.6
14	−5.89	−7.38	−0.02	99.7
15	−7.02	−7.30	−0.02	99.7
16	−7.69	−7.02	−0.02	99.7
17	−8.22	−7.21	−0.02	99.7
18	−8.76	−7.30	−0.02	99.7
19	−9.45	−7.11	−0.02	99.7
20	−10.04	−7.17	−0.02	99.7

^aFor this compound the algorithm used to evaluate the nucleophilic Fukui function produces negative values. ^bExperimental electrofugality from [33]. ^cPredicted values using the empirical equation included in Figure 2(b).