Tautomers | IP (eV) | EA (eV) | µ(eV) | χ(eV) | ɳ(eV) | S(eV)−1 | ω(eV) |
Gas phase | |||||||
Q-4-one | 6.248 | 1.355 | −3.801 | 3.801 | 2.447 | 0.409 | 2.953 |
Q-4-hydroxy | 6.295 | 1.516 | −3.905 | 3.905 | 2.390 | 0.418 | 3.191 |
DMQ | 5.429 | 0.827 | −3.128 | 3.128 | 2.301 | 0.435 | 2.126 |
DMHQ | 5.462 | 0.964 | −3.213 | 3.213 | 2.249 | 0.445 | 2.295 |
DBrQ | 6.303 | 1.844 | −4.073 | 4.073 | 2.229 | 0.449 | 3.689 |
DBrHQ | 6.435 | 2.049 | −4.242 | 4.242 | 2.193 | 0.456 | 4.102 |
| DMF | ||||||
Q-4-one | 6.157 | 1.488 | −3.823 | 3.823 | 2.334 | 0.428 | 3.130 |
Q-4-hydroxy | 6.050 | 1.595 | −3.822 | 3.822 | 2.228 | 0.449 | 3.279 |
DMQ | 5.599 | 1.145 | −3.372 | 3.372 | 2.227 | 0.449 | 2.553 |
DMHQ | 5.628 | 1.238 | −3.433 | 3.433 | 2.195 | 0.456 | 2.685 |
DBrQ | 6.305 | 1.879 | −4.092 | 4.092 | 2.213 | 0.452 | 3.815 |
DBrHQ | 6.458 | 2.041 | −4.250 | 4.250 | 2.208 | 0.453 | 4.088 |