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The thermal expansion properties of halogen bond containing 1,4 dioxane halogen complexes

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Abstract

Neutron powder diffraction has been used to determine accurate molecular structures and thermal expansion properties for the complexes formed between by iodine and bromine with 1,4 dioxane. The marked anisotropy in the magnitudes of the principal axes of the thermal expansion tensor for both compounds can be associated with the different intermolecular forces present, with the smallest values being associated with the halogen bonds formed between oxygen and the diatomic halogen molecules. The smallest thermal expansion coefficient of the 1,4 dioxane iodine complex is smaller than the corresponding coefficient in the corresponding bromine complex reflecting the stronger halogen bond formed between iodine and oxygen when compared to that formed between oxygen and bromine.

Graphical abstract: The thermal expansion properties of halogen bond containing 1,4 dioxane halogen complexes

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Publication details

The article was received on 23 May 2019, accepted on 23 Jul 2019 and first published on 25 Jul 2019


Article type: Paper
DOI: 10.1039/C9CE00803A
CrystEngComm, 2019, Advance Article

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    The thermal expansion properties of halogen bond containing 1,4 dioxane halogen complexes

    W. G. Marshall, R. H. Jones and K. S. Knight, CrystEngComm, 2019, Advance Article , DOI: 10.1039/C9CE00803A

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