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°.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
