The mechanism of formation of molecular conformations in ethylene glycol
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Global Scientific Publishing
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In this work, 4 different tTt, tGg', gTg' and gGg` conformations of the ethylene glycol (EG) molecule were studied using quantum chemical calculations and the method of B3LYP//6-311++G(d, p). Using the calculation, the optical and geometric parameters of the conformations were determined, and at the same time, the change in the shape of the O-H vibration band was analyzed in the conformations.