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The novel compound 1,10-diiodophenanthrene (right) is twisted by 68° owing to I–I repulsion. Density functional calculations with basis sets augmented by iodine pseudopotentials have been performed for this compound and for 2,2′diiodobiphenyl and 1,8-diiodonaphthalene, and the distortion of their structures caused by the presence of the iodine atoms discussed.
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Bock et al. (1998) studied this question.