Rep:Mod:Arsen1c
Discussion
The effect of the OH and CN groups
3(CH2OH)%2Bchargedistributioncolours1.png) |
 |
| Functional Group | Charge on central N | Charge on functional group | Charge on C (CH3) | Charge on C (CH2) | Charge on H (CH3) | Charge on H (CH2) |
|---|---|---|---|---|---|---|
| OH | -0.313 | O : -0.757, H : 0.532 | -0.488 | -0.358 | 0.264 to 0.285 | 0.234 |
| CN | -0.289 | C : 0.209, N : -0.186 | -0.485 to -0.489 | -0.358 | 0.269 to 0.282 | 0.309 |
OH is an electron donating group and CN is an electron withdrawing group, what effect have these groups had on the charge distribution?
Comparison of the two compounds' HOMO and LUMO
Compare and contrast the HOMO and LUMO of [N(CH3)4]+, [N(CH3)3(CH2OH)]+ and [N(CH3)3(CH2CN)]+ how has the shape of the orbitals changed? has the energy of these orbitals moved? has the HOMO-LUMO gap changed in size? what chemical impact could these changes have?