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Table 2 Effect of solvents on the HOMO-LUMO energies for compounds 2a and 2b

From: Synthesis of new two 1,2-disubstituted benzimidazole compounds: their in vitro anticancer and in silico molecular docking studies

Medium

Compound

EHOMO(eV)

ELUMO(eV)

ΔE(eV)

gas

(2a)

-5.9043

-0.6482

5.2561

water

-6.1917

-0.5252

5.6665

ethanol

-6.1877

-0.5271

5,6606

gas

(2b)

-5.6877

-0.1896

5.4981

water

-6.1075

-0.4631

5.6444

ethanol

-6.0908

-0.4476

5.6432

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BMC Chemistry

ISSN: 2661-801X

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