Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 58, Issue 25, Pages 8437-8442Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201902753
Keywords
difluoromethane; molecular clusters; non-covalent interactions; quantum-chemical calculations; rotational spectroscopy
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Funding
- MINECO [CTQ2017-89150-R]
- Basque Government [PIBA-2018-11]
- UPV/EHU [PPG17/10]
- Fundacion BBVA
- University of Bologna (RFO)
- Juan-de-la-Cierva contract
- Marie-Curie fellowship [PIOF-GA-2012-328405]
- China Scholarships Council
- CINECA award under the ISCRA initiative
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Rotational spectra of several difluoromethane-water adducts have been observed using two broadband chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometers. The experimental structures of (CH2F2)...(H2O)(2), (CH2F2)(2)...(H2O), (CH2F2)...(H2O)(3), and (CH2F2)(2)...(H2O)(2) were unambiguously identified with the aid of 18 isotopic substituted species. A subtle competition between hydrogen, halogen, and carbon bonds is observed and a detailed analysis was performed on the complex network of non-covalent interactions which stabilize each cluster. The study shows that the combination of stabilizing contact networks is able to reinforce the interaction strength through a cooperative effect, which can lead to large stable oligomers.
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