Abstract

The nitrogen nuclear quadrupole coupling in borazine is reported and interpreted in combination with the previously measured boron coupling. A novel Townes-Dailey type of analysis was employed to obtain the electron distribution in borazine. A calculated π-donation of ~ 0.5 e from the nitrogen atom to the vacant π-orbital of boron is accompanied by a strong polarisation of the σ-skeleton, imparting a negative charge to nitrogen and a positive charge to boron.

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