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Table 2 HOMO and LUMO energies, along with band gap

From: Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: selectivity, characterization, DFT studies and their biological evaluations

Compounds no EHOMO (eV) ELUMO (eV) ΔE (eV)
3a − 5.93 − 1.39 4.54
3b − 5.39 − 0.92 4.47
3c − 5.83 − 1.38 4.45
3d − 5.99 − 1.50 4.49
3e − 5.84 − 1.69 4.15
3f − 5.39 − 1.12 4.26
3g − 6.08 − 1.77 4.31
3h − 5.60 − 1.06 4.52
3i − 5.60 − 1.05 4.55
3j − 6.04 − 1.43 4.61
3k − 5.91 − 1.40 4.50
3l − 5.81 − 1.59 4.21
3m − 4.98 − 0.86 4.12
3n − 5.06 − 1.16 3.89
3o − 5.24 − 1.04 4.19
3p 6.05 − 1.38 4.67