- Rotational Spectrum of the Hydrogen-Bonded Dimer CH3CN...HCl
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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, DJ = 0.554(1) kHz, DJK = 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.
- Legon, A. C.,Millen, D. J.,North, H. M.
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