The vibrations of borazine derivative-I the planar vibrations of borazine and N-trideuteroborazine

The infra-red spectrum of H3Bi3N3H3 has been measured with 0.5 cm-1 resolution over the 4000-250 cm-1 region, and with lower resolution to 10,000 cm-1. Complementing the data with the known Raman active frequencies and those of the H3B3N3D3 infra-red spectrum, a normal co-ordinate treatment has been...

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Autor principal: Silberman, E.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_05848539_v23_n7_p2021_Silberman
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Sumario:The infra-red spectrum of H3Bi3N3H3 has been measured with 0.5 cm-1 resolution over the 4000-250 cm-1 region, and with lower resolution to 10,000 cm-1. Complementing the data with the known Raman active frequencies and those of the H3B3N3D3 infra-red spectrum, a normal co-ordinate treatment has been made. Using only one non-zero oilf-diagonal force constant (in symmetry co-ordinates), a better than 1 per cent agreement with all the observed frequencies has been obtained, except for the NH bending mode, for which a 3 per cent discrepancy cannot be eliminated by any reasonable value of the other interaction terms. The significance of the new force constants in terms of the electronic structure of borazol is discussed. © 1967.