Rotational Spectrum of the Hydrogen-Bonded Dimer CH3CN...HCl

Article abstract of DOI:10.1021/j100304a015

Chlorine nuclear quadrupole hyperfine structure has been resolved and analyzed in the spectrum of three isotopic species, CH3C(15)N...H(35)Cl, CH3C(15)N...H(37)Cl, and CH3C(15)N...D(35)Cl, of the methyl cyanide-hydrogen chloride hydrogen-bonded dimer.The determined spectroscopic constants are B₀ = 1100.72675(8) MHz, D_J = 0.554(1) kHz, D_JK = 64.05(5) kHz, and eqQ = -52.45(2) MHz for CH3C(15)N...H(35)Cl.These spectroscopic constants have been interpreted to give r(N...Cl) and k_?, the values of which are 3.301(4) Angstroem and 10.68(2) Nm^-1, respectively, for the species CH3(15)N...H(35)Cl.The corresponding quantities are also presented for the species CH3C(15)N...H(37)Cl and CH3C(15)N...D(35)Cl.