The structure of the phenylacetylene-water complex has been elucidated based on spectral shifts in electronicand vibrational transitions. Phenylacetylene forms a cyclic complex with water incorporating C-H···O andO-H···
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hydrogen bonds, which is different from both the benzene-water and acetylene-water complexes,even though phenylacetylene combines the features of both benzene and acetylene. Formation of such acomplex can be rationalized on the basis of cooperativity between the two sets of hydrogen bonds.