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
Cacelli I.Methodology
;
2019-01-01
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
