A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2 F2 )n …(H2 O)m
The high resolution spectroscopic study on difluoromethane and water aims to examine their larger clusters and the analysis on how non-covalent interactions shape their properties in order to get potential links to condense phase features.
Calabrese C, Li W, Prampolini G, Evangelisti L, Uriarte I, Cacelli I, Melandri S, Cocinero EJ.
Angew Chem Int Ed Engl 2019 Jun; 58: 8437.
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 (CH2 F2 )(H2 O)2 , (CH2 F2 )2 (H2 O), (CH2 F2 )(H2 O)3 , and (CH2 F2 )2 (H2 O)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.
PubMed: 30997948. Doi: 10.1002/anie.201902753.
