Table 2.
Calculated molecular potential density mapsa
| Compound | 1 | 2 | 3 | 4 |
|---|---|---|---|---|
| Isosteric series | ![]() |
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| Compound | 5 | 6 | 7 | 8 |
| Homologated series | ![]() |
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Molecular electrostatic potentials were calculated at the B3LYP/6-31G∗∗ level and mapped on 0.002 au isodensity surface and are shown with identical chromatic scales (red is more negative, greater electron density; blue is more positive, less electron density). Spartan’06, Wavefunction, Inc. Irvine, CA.







