Secondary Interaction Contribution in Hydrogen-Bonded Complex: Theoretical Model Study in Hydrogen Fluoride Trimer
نویسندگان
چکیده
The secondary interaction contribution in complexation via multiple hydrogen bonds was estimated using model complexes. Based on the results of hydrogen fluoride complexes, proton donor (D) proton acceptor (A) type secondary interaction was attractive, and the total stabilization energy should be increased about 2535%, based on hydrogen bond interaction, by the D-A type secondary interaction. The D-D type secondary interaction was very small. The A-A type secondary interaction was repulsive, and the total stabilization energy should be decreased about 10-20% based on hydrogen bond interaction, by the A-A type secondary interaction.
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