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. 2021 Jul 15;6(29):19045–19057. doi: 10.1021/acsomega.1c02350

Figure 6.

Figure 6

Schematic diagram of the HOMO–LUMO energy gap preferences of select phytochemicals identified from the ethanolic (70%) leaf extract of L. leucocephala. Frontier energies of HOMO and LUMO and intrinsic electronic proprieties of select phytochemicals are shown. (a) Cyclohexane-1,2,3,4,5,6-hexol; (b) hexadecanoic acid; (c) 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; (d) undecan-1-ol; (e) tridecan-1-ol; (f) 6-methylheptan-1-ol; (g) 2,6,10-trimethylpentadecane; (h) 3,7-dimethylnonane; (i) 3,7-dimethyldecane; (j) tetradecanal; (k) spiro[4.4]nona-3,8-diene; (l) N-trimethylsilyl aniline; (m) 2,6-dimethylhepta-1,5-diene; (n) 2,3,6-trimethyloctane; (o) (Z)-octadec-9-enoic acid; and (p) (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol. The positive electron density is shown in red color, whereas negative is shown in blue.