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