Exploring the sterically disfavored binding of acetylene to a geminal olefinic hydrogen-fluorine atom pair: The microwave spectrum and molecular structure of cis-1,2-difluoroethylene–acetylene
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| Creator | Leung, Helen O. |
|---|---|
| Creator | Marshall, Mark D |
| Title | Exploring the sterically disfavored binding of acetylene to a geminal olefinic hydrogen-fluorine atom pair: The microwave spectrum and molecular structure of cis-1,2-difluoroethylene–acetylene |
| Abstract | The microwave rotational spectrum of the gas-phase bimolecular heterodimer formed between cis-1,2-difluoroethylene and acetylene is obtained using Fourier transform microwave spectroscopy from 5.9 to 21.2 GHz. Rotational constants derived from the analysis of the spectra for the normal isotopologue and singly substituted ¹³C isotopologues, obtained in natural abundance, allow the determination of the structure of the complex, which, in the absence of a fluorine-hydrogen atom pair located cis to each other, adopts a sterically disfavored geometry (“side-binding”) in which the acetylene interacts with a geminal fluorine-hydrogen atom pair. Structural details are found to be similar to those of previously studied heterodimers with side-binding of acetylene to fluorine while reflecting the degree of halosubstitution. A detailed comparison with the (Z)-1-chloro-2-fluoroethylene-acetylene complex reveals information regarding the relaxed steric requirements for hydrogen bonding to chlorine as opposed to hydrogen bonding to fluorine. |
| Notes | This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Helen O. Leung and Mark D. Marshall, Journal of Chemical Physics, 152. 3 (2020): 034303 and may be found at https://aip.scitation.org/doi/10.1063/1.5141073. |
| Publication Date | January 16, 2020 |
| Identifier (DOI) | 10.1063/1.5141073 |
| Citation | Leung, Helen O. and Marshall, Mark D. "Exploring the sterically disfavored binding of acetylene to a geminal olefinic hydrogen-fluorine atom pair: The microwave spectrum and molecular structure of cis-1,2-difluoroethylene-acetylene." The Journal of Chemical Physics, 152. 3 (2020): 034303 |
| Edition | Author's Final Version |
| Genre | Articles |
| Subject | Fourier transform infrared spectroscopy |
| Subject | Molecular structure |
| Subject | Quasimolecules |
| Subject | Microwave spectroscopy |
| Subject | Electrostatics |
| Part of | The Amherst College Octagon |
| Repository | The Amherst College Octagon |
| Rights | Creative Commons Attribution-NonCommercial-NoDerivatives license (CC BY NC ND 4.0) |