Abstract

PEREIRA, Andressa Ribeiro  and  FERREIRA, Alba Denise Queiroz. Interactive molecular visualization for study situations. Educ. quím [online]. 2023, vol.34, n.4, pp.64-76.  Epub Jan 22, 2024. ISSN 0187-893X.  https://doi.org/10.22201/fq.18708404e.2023.4.83872.

Structural chemistry can be discussed with aromatic substances by applying digital resources PUBCHEM - chemical information database with interactive 3D structures, SDBS - database of experimental 1H-NMR and IR spectra, NMRDB- simulator of 1H- NMR with artificial intelligence (AI), for the development of interactive activities that promote molecular visualization in study situations (SE). Five substances were selected, four of which form two pairs of structural isomers, one pair with the composition C5H10O2 with distinct functional groups, the isobutyl formate - blackberry aroma and the butyl ethanoate - apple aroma; the second pair has the chemical formula C9H10O2, benzyl acetate - pear aroma and methyl phenylacetate - honey aroma, both molecules having identical functional groups. The combined use of digital resources as learning objects (LOs) for the direct (PUBCHEM) and indirect visualization of chemical structures (NMRDB and SDBS) of these molecules was proposed, exemplifying an introduction to the analysis of 1H-NMR spectra with the AI of the NMRDB simulator, for interactive activities in a SE with structural chemistry in the training (initial or continuing) of chemistry teachers. In addition to providing molecular visualization in the practice of chemistry, the interactive activity presented can contribute to the development of scientific curiosity, argumentation based on facts, among other general skills of the National Common Curricular Base (Base Nacional Comum Curricular -BNCC).

Keywords : Structural Chemistry; aromatic molecules; isomers; learning objects; chemistry teaching.

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