An article Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone-(H2O)(1-3) Clusters with Rotational Spectroscopy WOS:000611117100001 published article about HYDROGEN-BOND COOPERATIVITY; DENSITY-FUNCTIONAL THEORY; NONCOVALENT INTERACTIONS; SPECTRA; ISOMERS; MOLECULE; CAGE in [Li, Weixing; Quesada-Moreno, Maria Mar; Pinacho, Pablo; Schnell, Melanie] DESY, Notkestr 85, D-22607 Hamburg, Germany; [Schnell, Melanie] Christian Albrechts Univ Kiel, Inst Phys Chem, Max Eyth Str 1, D-24118 Kiel, Germany in 2021.0, Cited 70.0. Application In Synthesis of Benzophenone. The Name is Benzophenone. Through research, I have a further understanding and discovery of 119-61-9
Examined here are the structures of complexes of benzophenone microsolvated with up to three water molecules by using broadband rotational spectroscopy and the cold conditions of a molecular jet. The analysis shows that the water molecules dock sideways on benzophenone for the water monomer and dimer moieties, and they move above one of the aromatic rings when the water cluster grows to the trimer. The rotational spectra shows that the water trimer moiety in the complex adopts an open-loop arrangement. Ab initio calculations face a dilemma of identifying the global minimum between the open loop and the closed loop, which is only solved when zero-point vibrational energy correction is applied. An OH…pi bond and a Burgi-Dunitz interaction between benzophenone and the water trimer are present in the cluster. This work shows the subtle balance between water-water and water-solute interactions when the solute molecule offers several different anchor sites for water molecules.
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