Table 3 Transition energies (in nm) and relative energies (ΔE, in kcal/mol) of SWNT adducts.
Binding configuration | 1,2-L++ | 1,2-L+ | 1,2-L- | 1,4-L++ | 1,4-L+ | 1,4-L- |
|---|---|---|---|---|---|---|
SWNTs | Transition energy (nm) | |||||
(6,5) SWNT>(CF2)4 | 958 | 1188 | 944 | 1045 | 853 | 1198 |
(6,5) SWNT>(CH2)429 | 934 | 1120 | 885 | 998 | 852 | 1120 |
CF3(CF2)3-(6,5) SWNT-H | 928 | 1138 | 905 | 1009 | 876 | 1138 |
CH3(CH2)3-(6,5) SWNT-H20 | 922 | 1106 | 880 | 992 | 855 | 1121 |
Relative energy (ΔE, kcal/mol) | ||||||
(6,5) SWNT>(CF2)4 | 8.3 | 4.0 | 0 | 13.6 | 4.0 | 10.7 |
(6,5) SWNT>(CH2)429 | 7.9 | 3.5 | 0 | 18.2 | 6.4 | 11.7 |
CF3(CF2)3-(6,5) SWNT-H | 1.8 | 1.1 | 0 | 4.6 | 5.0 | 8.3 |
CH3(CH2)3-(6,5) SWNT-H20 | 4.8 | 1.9 | 0 | 6.1 | 6.6 | 10.3 |
