Conformational Landscape of α-Halopropiophenones Determined by nJC–H NMR Reveals Unexpected Patterns and Geometric Constraints
Camila Botin Francisco,
Cleverton de Souza Fernandes,
Fernanda Franco Dourado
et al.
Abstract:The conformational features of α-halopropiophenones were investigated to understand the influence of α-halogens on conformation through hyperconjugative interactions, electrostatics, and steric factors. Using NMR, C−H scalar coupling constants were measured in different solvents, revealing a pattern in the conformational equilibria, which we validated by computational means. This behavior arises largely from hyperconjugative effects with the exception of the fluoro-derivatives, which are also influenced by ste… Show more
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