E

(HO)

(eV)

E

(BV)

(eV)

ΔE

(eV)

χ

(eV)

µ

(eV)

η

(eV)

S

(eV⁻¹)

ω

(eV)

BTH

−0.2471

−0.0501

0.197

0.1511

−0.1511

0.1660

6.0239

0.1375

2-SH_BTH

−0.2364

−0.0482

0.1883

0.1447

−0.1447

0.1566

6.3864

0.1337

2-NH2_BTH

−0.2221

−0.0266

0.1955

0.1325

−0.1325

0.1566

6.3851

0.1121

2-OH_BTH

−0.2392

−0.0334

0.2058

0.1409

−0.1409

0.1674

5.9741

0.1186

2-SCH3_BTH

−0.2271

−0.043

0.1841

0.1372

−0.1372

0.153

6.5372

0.1231