Table 6. Fukui Function of (3).
atom | N | N – 1 | N + 1 | f+ | f– | f0 |
---|---|---|---|---|---|---|
C-1 | 0.0679 | 0.0532 | 0.0674 | –0.0005 | 0.0147 | –0.0071 |
N-2 | –0.0801 | –0.0265 | –0.1109 | –0.0308 | –0.0537 | 0.0422 |
C-3 | –0.0486 | 0.0039 | –0.0928 | –0.0442 | –0.0525 | 0.0483 |
C-4 | –0.3512 | –0.4643 | –0.4411 | –0.0899 | 0.1132 | –0.0116 |
C-5 | 0.1717 | 0.3426 | 0.21277 | 0.0411 | –0.1709 | 0.0649 |
N-6 | 0.0990 | 0.1784 | 0.10126 | 0.0023 | –0.0794 | 0.0386 |
N-7 | –0.0185 | 0.0396 | –0.0483 | –0.0298 | –0.0581 | 0.0439 |
C-8 | –0.3310 | –0.1790 | –0.3297 | 0.0014 | –0.1520 | 0.0753 |
C-9 | –0.1382 | –0.4060 | –0.1609 | –0.0227 | 0.2678 | –0.1226 |
C-10 | 0.5749 | 0.7352 | 0.6347 | 0.0600 | –0.1603 | 0.0502 |
C-11 | –0.4091 | –0.3697 | –0.5266 | –0.1175 | –0.0394 | 0.0785 |
C-12 | –0.2252 | –0.2265 | –0.2918 | –0.0667 | 0.0014 | 0.0326 |
C-13 | –0.3161 | –0.2796 | –0.2825 | 0.0336 | –0.0365 | 0.0015 |
C-14 | –0.299 | –0.3564 | –0.3639 | –0.0650 | 0.0574 | 0.0038 |
C-15 | –0.0289 | –0.0853 | 0.0221 | 0.0509 | 0.0564 | –0.0537 |
N-16 | –0.0465 | –0.0160 | –0.1337 | –0.0872 | –0.0305 | 0.0588 |
C-17 | –0.1931 | –0.7848 | –0.3077 | –0.1147 | 0.5917 | –0.2385 |
C-18 | –0.5012 | –0.2963 | –0.3509 | 0.1503 | –0.2049 | 0.0273 |
C-19 | 1.1232 | 1.7436 | 1.0098 | –0.1134 | –0.6204 | 0.3669 |
C-20 | –0.9195 | –1.1579 | –0.9539 | –0.0344 | 0.2385 | –0.1020 |
C-21 | 0.1313 | 0.3617 | 0.1031 | –0.0282 | –0.2304 | 0.1293 |
S-22 | –0.4902 | –0.5191 | –0.6296 | –0.1394 | 0.0289 | 0.0552 |
H-23 | 0.2113 | 0.2622 | 0.1710 | –0.0403 | –0.0509 | 0.0456 |
H-24 | 0.1968 | 0.2418 | 0.1587 | –0.0381 | –0.0450 | 0.0415 |
H-25 | 0.1983 | 0.2395 | 0.2031 | 0.0048 | –0.0412 | 0.0182 |
H-26 | 0.1761 | 0.2047 | 0.1499 | –0.0262 | –0.0286 | 0.0274 |
H-27 | 0.1573 | 0.1981 | 0.1229 | –0.0344 | –0.0407 | 0.0376 |
H-28 | 0.1737 | 0.2089 | 0.1343 | –0.0394 | –0.0352 | 0.0373 |
H-29 | 0.2107 | 0.2350 | 0.1929 | –0.0178 | –0.0243 | 0.0210 |
H-30 | 0.1716 | 0.2351 | 0.1450 | –0.0266 | –0.0635 | 0.0450 |
H-31 | 0.1562 | 0.1923 | 0.1012 | –0.0550 | –0.0361 | 0.0455 |
H-32 | 0.2422 | 0.3011 | 0.1882 | –0.0540 | –0.0589 | 0.0564 |
H-33 | 0.1794 | 0.1786 | 0.1918 | 0.0124 | 0.0008 | –0.0066 |
H-34 | 0.1544 | 0.2121 | 0.1139 | –0.0405 | –0.0577 | 0.0491 |