The nature of the chemical bond in borazine (B3N3H6), boroxine (B3O3H3), carborazine (B2N2C2H6), and related species |
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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( ), NH( ), and CH( ). 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. |
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Keywords: | ab initio borazine boroxine carborazine chemical bonding |
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