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

Arunan, E. ; Emilsson, T. ; Gutowsky, H. S. (1995) Excited ν3 vibrational state of the Ar-HCN and Kr-HCN dimers Journal of Chemical Physics, 103 (2). 493_1-493_4. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v103/i2/p493_...

Related URL: http://dx.doi.org/10.1063/1.470134


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 ∼1300 K. The B, DJ, and HJ rotational constants found for the excited parent Ar-HCN isotopic species are 1602.475(3) MHz, 164.2(6) kHz, and 309(5) Hz, and for Kr-HCN they are 1176.4493(3) MHz, 41.7(1) kHz, and 56(1) Hz. The 14N quadrupole interaction χa(J=1) observed in the excited state is −2.824 (−3.239) MHz for Ar(Kr)-HCN, slightly smaller than the −2.844 (−3.268) MHz in the ground state. A substitution analysis based on the C and N isotopic species reveals that the C-N distance rs (CN) increases by ∼0.013 (0.020 Å) on excitation of Ar(Kr)-HCN. A similar analysis for free DC15N gives an increase in rs(CN) upon ν3 excitation of 0.0022 Å. Assignment of the excited state in the dimer as the ν3C-N stretch of the HCN is proposed and discussed.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Argon; Krypton; Hydrocyanic Acid; Excited States; Rotational States; Vibrational States; Dimers; Fourier Transform Spectrometers; Microwave Spectra; Ground States
ID Code:48234
Deposited On:14 Jul 2011 06:48
Last Modified:14 Jul 2011 06:48

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