The intermolecular interactions in cycloalkene-water adducts were computationally characterized, thus demonstrating that the primary O-H⋅⋅⋅πC=C hydrogen bond is dominated by the electrostatic interaction. A deeper investigation by means of a joint rotational spectroscopy/state-of-the-art quantum chemistry approach also led to the determination of an accurate semi-experimental equilibrium structure for the cyclopentene adduct.
Titolo: | The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy | |
Autori: | ||
Data di pubblicazione: | 2019 | |
Rivista: | ||
Digital Object Identifier (DOI): | http://dx.doi.org/10.1002/anie.201906977 | |
Parole Chiave: | bond analysis; microsolvation; noncovalent interactions; quantum chemistry; rotational spectroscopy | |
Handle: | http://hdl.handle.net/11384/82070 | |
Appare nelle tipologie: | 1.1 Articolo in rivista |
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