An insight into intramolecular blue-shifting C H⋯π hydrogen bonds in 1,3-hexadien-5-yne and its halogen-substituted derivatives
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DOI: 10.1016/j.chemphys.2018.11.001
Abstract: Abstract The blue-shifting intramolecular C H⋯π hydrogen bonds (H-bonds) in conformer I of 1,3-hexadien-5-yne (13HD5Y) and its halogen-substituted derivatives are explored by theoretical calculations. The geometric analysis indicates that the C H bond in conformer… read more here.
Keywords: hexadien yne; substituted derivatives; hydrogen bonds; halogen substituted ... See more keywords