77965-53-8Relevant articles and documents
Comparison of Experimental and Theoretical Data on the Structure of the LiBO Molecule
Ermilov, A. Yu.,Nemukhin, A. V.,Stepanov, N. E.
, p. 108 - 109 (2007/10/02)
The results of experimental mass spectrometric studies of the Li(g) + BO(g) = LiBO(g) reaction are compared with those of quantum-mechanical calculations of the energy of the LiBO molecule.It is shown that the relative stabilities of the LiOB and LiBO isomers cannot be established from experimental data of the type examined here.The results of the calculation by molecular statistics are shown to be critically dependent on the parameters of the model.Both theoretical and experimental results suggest the presence of both LiBO isomers over a wide temperature range.
