Document Type


Publication Date



Theoretical computations were carried out to determine the structure and molecular parameters of the BNSi molecule. The most stable isomer is found to have a BNSi linear geometry. Thermal functions as derived from the theoretical computed molecular parameters were used in the evaluation of the thermodynamic properties of BNSi from high-temperature Knudsen effusion mass spectrometric equilibrium data. From the reactions analyzed by the second-law and third-law methods, the enthalpy of formation,ΔfHo0, and of atomization, ΔaHo0, in kJ mol−1, for BNSi, were obtained as 398±16 and 1078±17, respectively.


Copyright 1999 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

The following article appeared in Meloni, G., & Viswanathan, R. (1999). Experimental and theoretical investigations of the structure and the stability of the BNSi molecule. Journal Of Chemical Physics, 111(20), 9325. and may be found at



Included in

Chemistry Commons