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The nature of the chemical bond in borazine (B3N3H6), boroxine (B3O3H3), carborazine (B2N2C2H6), and related species
Abstract:The bonding problem in borazine (B3N3H6), boroxine (B3O3H3), and carborazine (B2N2C2H6) is successfully addressed through the consideration of the excited states of the constituent fragments, namely BH( urn:x-wiley:00207608:media:qua25650:qua25650-math-0001), NH( urn:x-wiley:00207608:media:qua25650:qua25650-math-0002), and CH( urn:x-wiley:00207608:media:qua25650:qua25650-math-0003). We propose the participation of resonant structures for all three species that help to explain the experimental findings. A discussion on the chemical pattern of the parental molecule benzene (C6H6) helps to make coherent the whole bonding analysis on the titled species.
Keywords:ab initio  borazine  boroxine  carborazine  chemical bonding
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