Table 5. Results of the Natural Population Analysis (NPA) for I.
atom | qk0 | qk+ | qk– | fk– | fk+ |
---|---|---|---|---|---|
C1 | –0.23911 | –0.19579 | –0.25123 | 0.01212 | 0.04332 |
C2 | –0.25265 | –0.24466 | –0.30465 | 0.05200 | 0.00799 |
C3 | –0.24474 | –0.19263 | –0.25004 | 0.00530 | 0.05211 |
C4 | –0.37493 | –0.30184 | –0.42038 | 0.04545 | 0.07309 |
C5 | –0.49603 | –0.51053 | –0.49164 | –0.00439 | –0.01450 |
C6 | 0.69587 | 0.70071 | 0.61084 | 0.08503 | 0.00484 |
C7 | 0.05599 | 0.11139 | –0.02532 | 0.08131 | 0.05540 |
C8 | –0.39458 | –0.25352 | –0.46233 | 0.06775 | 0.14106 |
C9 | –0.20415 | –0.17736 | –0.21147 | 0.00732 | 0.02679 |
C10 | –0.27316 | –0.17606 | –0.33920 | 0.06604 | 0.09710 |
C11 | 0.28127 | 0.24577 | 0.27757 | 0.00370 | –0.03550 |
O1 | –0.60117 | –0.52799 | –0.67673 | 0.07556 | 0.07318 |
N1 | –0.62357 | –0.55701 | –0.54771 | 0.07586 | 0.06656 |
N2 | –0.32644 | –0.20934 | –0.44469 | 0.11825 | 0.1171 |
S1 | 0.43262 | 0.48268 | 0.37975 | 0.05287 | 0.05006 |
S2 | 0.50290 | 0.56078 | 0.38703 | 0.11587 | 0.05788 |