The He(I) photoelectron spectra and the measured vertical ionization potentials of B-trimethyl-borazine and N-trimethylborazine, are reported and compared with those of borazine, and with the results of CNDO/2 calculations, to show that the highest-lying occupied orbital in all three compounds is of π type, and not σ as is indicated for borazine by calculations.
D. R. Lloyd and N. Lynaugh, J. Chem. Soc. D, 1971, 125 DOI: 10.1039/C29710000125
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