On the use of the pseudo-diatomic model for experimental evaluation of stabilization energies of weakly bound molecular complexes
Stabilization energies of weakly bound molecular complexes, relative to the isolated monomers constituents, have been evaluated experimentally using the pseudo-diatomic (PD) model employing a Lennard-Jones 6-12 potential (LJ), here denominated the PD-LJ model. This method uses spectroscopic data to estimate the potential depth of weakly bound species. In this work we report a systematic comparison between high level ab initio stabilization energy values and the respective experimental data available for a series of binary complexes, aiming to assess the efficaciousness of the PD-LJ model.
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| Format: | Digital revista |
| Language: | English |
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Sociedade Brasileira de Química
1997
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50531997000100014 |
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