Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex
The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations. In the observed isomer, water plays the double role of proton donor and ac...
| Auteurs principaux: | , , , , , , , |
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| Format: | Article |
| Langue: | English |
| Publié: |
MDPI AG
2020-10-01
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| Collection: | Molecules |
| Sujets: | |
| Accès en ligne: | https://www.mdpi.com/1420-3049/25/21/4899 |