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May 13, 2026Physical Chemistry Chemical Physics0 citations

Probing stability of exocyclic BN-doped fulvenes in ground state: 1-aminoboroles vs 1-pyrroloboranes

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MAMuhammad Rouf AlviAAAhmad Raza AshrafAFAreej Fatima

Key Points

  • The aim is to explore the stability of BN-doped fulvenes in ground state comparing 1-aminoboroles and 1-pyrroloboranes.
  • Theoretical analysis of the stability of exocyclic BN-doped fulvenes
  • Comparison between 1-aminoboroles and 1-pyrroloboranes
  • Assessment of the effects of BN-doping on properties.
  • BN-doping enhances hydrogen storage capabilities.
  • Adsorption properties of organic compounds are significantly altered due to BN-doping.
  • Differences in stability were observed between 1-aminoboroles and 1-pyrroloboranes.

Abstract

BN-doping, i.e., replacing a nonpolar C=C bond with the polar BN bond, in organic compounds, imparts desirable properties, for instance, hydrogen storage, adsorption, precursors to the bigger compounds, and smart...

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Cite This Study

Alvi et al. (2026) studied this question.

synapsesocial.com/papers/6a03cbe01c527af8f1ecfacfhttps://doi.org/10.1039/d5cp03645c
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