Sarah Giovanna Montenegro LIMA
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Thiago Jackson Torres CRUZ
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Francisco Claudece PEREIRA
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Ademir Oliveira da SILVA
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Francisco José Santos LIMA
Ascorbic acid, commonly known as vitamin C, is a weak acid and natural antioxidant that plays essential biological roles in the participation of collagen formation and the absorption of iron by the body. The objective of this work was to verify, through molecular modeling, partial loads and evaluation of PRM reactivity parameters, that it presents favorable electronic densities in stereochemically located positions, for the formation of metallic salts, associated with supposed complex systems. Its electrolytic properties showed a type 1: 1 behavior in freshly prepared aqueous millimolar solution. This is in agreement with the values of pH, Ka1 and Ka2 respectively, evaluated for an equilibrium situation through the program RAÍZES 1.0, developed by the authors. Thermal decomposition starts around 180-190oC and continues until reaching a temperature of 570.3 °C, in which a small experimental percentage of waste has been associated with the presence of reduced carbon. The absorption spectrum in the infrared region identified the main transitions attributed to C = O, C = C, OH, present in their functional groups. The UV-Vis absorption spectrum showed an intense band that occurs between 207 - 312 nm, with maximum absorption peak, Amax = 3,6123 at 249, and 250 nm. This band presents itself in the region where the n → π*, n → σ* and π → π* transitions occur associated with the chromophore groups. The strength of the oscillator f is comparable to those presented by chromophore groups that have intense molecular transitions, in which some types of molecules are used as dyes and other analogs used as sensitizers in solar photocells or devices emitting electromagnetic radiation.