1. An investigation of hydrogen bonding between HCl and vinylacetylene: A molecule with two different π-acceptor sites.
- Author
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Kisiel, Z., Fowler, P. W., Legon, A. C., Devanne, D., and Dixneuf, P.
- Subjects
DIMERS ,HYDROGEN chloride ,FOURIER transforms ,CHEMICAL bonds - Abstract
The ground state rotational spectrum of a hydrogen-bonded dimer formed by vinylacetylene and hydrogen chloride has been detected by the pulsed-nozzle, Fourier-transform microwave technique. Vinylacetylene has been chosen as a prototype acceptor molecule containing two different π-acceptor sites. Rotational constants A0, B0, C0, centrifugal distortion constants ΔJ, ΔJK, δJ, δK, and three components χaa, χbb-χcc, and χab of the Cl nuclear quadrupole coupling tensor have been determined for each of the three isotopomers CH2CHCCH··· H35Cl, CH2CHCCH···H37Cl, and CH2CHCCH···D35Cl. These spectroscopic constants have been interpreted in terms of a dimer in which the HCl subunit forms a hydrogen bond to the C 3/4 C triple bond in a T-shape configuration, but is displaced from the center of the triple bond by d=0.04 Å towards the inner C atom, and makes an angle φ=34° with the vinylacetylene plane. The experimental angular geometry is in excellent agreement with that predicted by the Buckingham–Fowler electrostatic model which gives φ=27°. [ABSTRACT FROM AUTHOR]
- Published
- 1990
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