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

Authors :
Calabrese, Camilla
Li, Weixing
Prampolini, Giacomo
Evangelisti, Luca
Uriarte, Iciar
Cacelli, Ivo
Melandri, Sonia
Cocinero, Emilio J.
Source :
Angewandte Chemie International Edition. 6/17/2019, Vol. 58 Issue 25, p8437-8442. 6p.
Publication Year :
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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
14337851
Volume :
58
Issue :
25
Database :
Academic Search Index
Journal :
Angewandte Chemie International Edition
Publication Type :
Academic Journal
Accession number :
136856719
Full Text :
https://doi.org/10.1002/anie.201902753