Excited ν3 vibrational state of the Ar–HCN and Kr–HCN dimers

Abstract

Prediction of the spectrum for excitation of the van der Waals modes in ArHCN J. Chem. Phys. 93, 7666 (1990); 10.1063/1.459398 8 3Kr nuclear quadrupole coupling, microwave spectrum, and structure of KrHCN Rotational spectra have been observed for an excited vibrational state of the Ar/Kr-HCN dimers in a Balle-Flygare Fourier transform microwave spectrometer with a high temperature nozzle that can be heated to ϳ1300 K. The B, D J , and H J rotational constants found for the excited parent Ar-HCN isotopic species are 1602.475͑3͒ MHz, 164.2͑6͒ kHz, and 309͑5͒ Hz, and for Kr-HCN they are 1176.4493͑3͒ MHz, 41.7͑1͒ kHz, and 56͑1͒ Hz. The 14 N quadrupole interaction a ͑Jϭ1͒ observed in the excited state is Ϫ2.824 ͑Ϫ3.239͒ MHz for Ar͑Kr͒-HCN, slightly smaller than the Ϫ2.844 ͑Ϫ3.268͒ MHz in the ground state. A substitution analysis based on the C and N isotopic species reveals that the C-N distance r s ͑CN͒ increases by ϳ0.013 ͑0.020 Å͒ on excitation of Ar͑Kr͒-HCN. A similar analysis for free DC 15 N gives an increase in r s ͑CN͒ upon 3 excitation of 0.0022 Å. Assignment of the excited state in the dimer as the 3 C-N stretch of the HCN is proposed and discussed.

Rotational patches: Stark effect, dipole moment, and dynamics of water loosely bound to benzene

“…They include the dimers with isotopically substituted water and the rare gas sandwich trimers 17,18 Rg-C 6 H 6 -H 2 O (RgϭNe, Ar, Kr͒.…”

“…Such spectra were collected for Ar and Kr as well as for Ne. 18 The most extensive data are for Ar, which are reproduced in Fig. 7.…”

“…This expectation was borne out by a comparison of the experimental Jϭ3→4 spectrum for the parent with those for the 18 …”

Pulsed Nozzle Fourier Transform Microwave Spectrometer: Advances and Applications

“…[48] This design helped in raising the temperature limit to 11008C. [49] Evidently, the heating before expansion does not affect the formation of weakly bound complexes. 5, to resolve a long-standing controversy about the silicon-carbon double bond length.…”