ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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, ΔfH0o, and of atomization, ΔaH0o, in kJ mol−1, for BNSi, were obtained as 398±16 and 1078±17, respectively. © 1999 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.479844
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