| Abstract
| - An ab initio computational study of the properties of four linear dihydrogen-bonded complexes formed betweenthe first compound with an Ar−C chemical bond (FArCCH) and HBeX (X = H, F, Cl, and Br) moleculeswas undertaken at the MP2/6-311++G(2d,2p) level of theory. The calculated complexation energy at MP2and G2(MP2) levels decreases in the order HBeH···HCCArF > BrBeH···HCCArF > ClBeH···HCCArF >FBeH···HCCArF. The intermolecular stretching frequency, and shifts within the monomers, are comparedwith the energetic strength of complexation.
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