Triply hydrogen bonded van der Waals complexes: CH2F2⋯CF2CH2 and CH2F2⋯CF2CHF
| Autor: | Hideaki Kanno, Yoshio Tatamitani, Kenji Yamanou, Teruhiko Ogata |
|---|---|
| Rok vydání: | 2007 |
| Předmět: |
Materials science
Hydrogen Hydrogen bond Van der Waals strain chemistry.chemical_element Atomic and Molecular Physics and Optics symbols.namesake Crystallography chemistry.chemical_compound chemistry Ab initio quantum chemistry methods symbols Van der Waals radius Rotational spectroscopy Physical and Theoretical Chemistry Atomic physics van der Waals force Difluoromethane Spectroscopy |
| Zdroj: | Journal of Molecular Spectroscopy. 242:150-155 |
| ISSN: | 0022-2852 |
| Popis: | The results of molecular beam Fourier transform microwave (FTMW) investigations of the van der Waals complexes of difluoromethane with 1,1-difluoroethene (DFE) and trifluoroethene (TFE) are reported. The rotational parameters of the complexes have been interpreted in terms of a C s geometry with the two H or F atoms of CH 2 F 2 lying out of the σ v symmetry plane of the complexes. The complexes are bound by three hydrogen bonds, of which one is the stronger C–F⋯H–C type, and two are the weaker C–H⋯F⋯H–C or C–F⋯H⋯F–C types for DFM–DFE or DFM–TFE, respectively. The most notable difference in the two complexes is that the out of plane atoms are two hydrogens for DFM–DFE, but are two fluorines for DFM–TFE. Additional information on the structure and hydrogen bonding has been obtained from ab initio calculations. |
| Databáze: | OpenAIRE |
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