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Experimental results for a variety of molecules have shown that their bond lengths expand appreciably when the molecules are heated, as expected from the asymmetric Morse-like potentials characterizing the bonds. However, in a series of papers on structures determined by gas-phase electron diffraction, Giricheva et al. claimed that, for very hot MX3 molecules, effects of out-of-plane vibrations cancel...
In a recent article (Varga Z, Hargittai M, Bartell LS (2011) Struct Chem 22: 111–121), we showed with the example of lanthanide triiodide that contrary to previous claims by others, simple metal trihalide molecules do expand with increasing temperature. This sequel is meant to strengthen our argument and the validity of the method we used besides correcting a numerical error.
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