Stability Analysis and Frontier Orbital Study of Different Glycol and Water Complex

Figure 1

Optimized structures using WB97XD/6-31++G(d,p) of (a) ethylene glycol (EG), (b) diethylene glycol (DEG), (c) triethylene glycol (TEG), and (d) dipropylene glycol molecule (DPG) (colour legend: red = oxygen, black = carbon, and whitish grey = hydrogen).

(a)

(b)

(c)

(d)