Local aromaticity study of heterocycles using n-center delocalization indices: the role of aromaticity on the relative stability of position isomers

@inproceedings{Mandado2006LocalAS,
  title={Local aromaticity study of heterocycles using n-center delocalization indices: the role of aromaticity on the relative stability of position isomers},
  author={Marcos Mandado and Nicol{\'a}s Otero and Ricardo A. Mosquera},
  year={2006}
}
Abstract A quantitative study on local aromaticity based on n -center electron delocalization indices, n being the number of atoms in the ring, is performed on a series of heterocycles containing N, O or S. The results indicate that the order of stability within a series of position isomers is not controlled by aromaticity but by other structural factors. Thus, for a certain series of monocycles position isomers (diazoles, triazoles, tetrazoles, diazines, triazines, and tetrazines) the most… CONTINUE READING