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A General Treatment to Study Molecular Complexes Stabilized by Hydrogen‐, Halogen‐, and Carbon‐Bond Networks: Experiment and Theory of (CH 2 F 2 ) n ⋅⋅⋅(H 2 O) m
Author(s) -
Calabrese Camilla,
Li Weixing,
Prampolini Giacomo,
Evangelisti Luca,
Uriarte Iciar,
Cacelli Ivo,
Melandri Sonia,
Cocinero Emilio J.
Publication year - 2019
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201902753
Subject(s) - halogen , chemistry , hydrogen bond , halogen bond , difluoromethane , adduct , hydrogen , covalent bond , silane , cluster (spacecraft) , carbon fibers , crystallography , molecule , materials science , alkyl , organic chemistry , physics , composite number , refrigerant , computer science , gas compressor , composite material , thermodynamics , programming language
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 (CH 2 F 2 )⋅⋅⋅(H 2 O) 2 , (CH 2 F 2 ) 2 ⋅⋅⋅(H 2 O), (CH 2 F 2 )⋅⋅⋅(H 2 O) 3 , and (CH 2 F 2 ) 2 ⋅⋅⋅(H 2 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.