On the thermal expansion of molecules

@article{Varga2011OnTT,
  title={On the thermal expansion of molecules},
  author={Zoltan Varga and Magdolna Hargittai and Lawrence S. Bartell},
  journal={Structural Chemistry},
  year={2011},
  volume={22},
  pages={111-121}
}
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 the thermal expansion of the M–X bonds. This is incorrect. Although the computations to… CONTINUE READING

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