Centrifugal distortion analysis for the bent isomer of N2OHF

S. G. Kukolich, D. J. Pauley

Research output: Contribution to journalArticle

21 Scopus citations

Abstract

Six previously unobserved lines for the bent form of NNO-HF (O...H hydrogen bonded) were measured using a pulsed-beam, Fourier-transform spectrometer. These lines, together with earlier data, were fitted to obtain the rotational constants and a limited set of quartic distortion constants using a Watson-type Hamiltonian in the Ir representation. The results of the fit are: A+Δ K=26322.32(32) MHz, B=2720.93(10) MHz, C=2438.72 (10) MHz, ΔJ=60.3(11) kHz, ΔJK=-3.077(15) MHz, δJ= 13.1(10) kHz and δK= 314 (47) kHz. The errors in line frequencies calculated with this extended set of parameters are two orders of magnitude smaller than errors obtained using only rigid rotor parameters. The vibrationally averaged structure and force constants for the Rc.m. stretching vibration and an in-plane-bending vibration were calculated using the rotational constants and distortion constants. It was found that ΔJ (or DJ) depends primarily on fRR-1, so that earlier analyses involvi ΔJ or DJ were reasonably accurate.

Original languageEnglish (US)
Pages (from-to)403-408
Number of pages6
JournalChemical Physics
Volume131
Issue number2-3
DOIs
StatePublished - Mar 15 1989

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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