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.

A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2F2)n⋅⋅⋅(H2O)m

Li W.;Evangelisti L.;Melandri S.;
2019

Abstract

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.
2019
Calabrese C.; Li W.; Prampolini G.; Evangelisti L.; Uriarte I.; Cacelli I.; Melandri S.; Cocinero E.J.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/695101
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