Rotational spectrum of (CH3)3P⋯HCl and a comparison of properties within the series of axially symmetric dimers R3Y⋯HCl, where Y = N or P and R = H or CH3

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Abstract
The rotational spectra of two symmetric-top isotopomers of the trimethylphosphine–hydrogen chloride dimer have been observed by pulsed-nozzle, Fourier-transform microwave spectroscopy and analysed to give the following ground-state spectroscopic constants: [graphic omitted] The Cl nuclear quadrupole coupling constant χ(35Cl) is used to establish that the description (CH3)3P⋯HCl rather than (CH3)3[graphic omitted]H⋯ text-decoration:overlineCl is more appropriate, although a very small extent of proton transfer cannot be ruled out. The former model is used to obtain r(P⋯Cl)= 3.6131(2)Å and kσ= 10.48(7) N m–1. A comparison of χ(35Cl) and kσ among members of the series R3Y⋯HCl, where Y = N or P and R = H or CH3, allows the conclusion that the dimers (R = H, Y = P), (R = H, Y = N) and (R = CH3, Y = P) are of a different nature from (R = CH3, Y = N). These conclusions are discussed in the light of estimates of the energetics of the process R3 Y⋯HCl = R3[graphic omitted]H⋯ text-decoration:overlineCl.
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