London Dispersion and Hydrogen-Bonding Interactions in Bulky Molecules: The Case of Diadamantyl Ether Complexes.

ABSTRACT: Diadamantyl ether (DAE, C₂₀ H₃₀ O) represents a good model to study the interplay between London dispersion and hydrogen-bond interactions. By using broadband rotational spectroscopy, an accurate experimental structure of the diadamantyl ether monomer is obtained and its aggregates with water and a variety of aliphatic alcohols of increasing size are analyzed. In the monomer, C-H⋅⋅⋅H-C London dispersion attractions between the two adamantyl subunits further stabilize its structure. Water and the alcohol partners bind to diadamantyl ether through hydrogen bonding and non-covalent O_{water/alcohol} ⋅⋅⋅H-C_DAE and C-H_alcohol ⋅⋅⋅H-C_DAE interactions. Electrostatic contributions drive the stabilization of all the complexes, whereas Lo

SUBMITTER: Quesada Moreno MM 

PROVIDER: S-EPMC7497036 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature