TY - JOUR
T1 - Centrifugal distortion analysis for the bent isomer of N2OHF
AU - Kukolich, S. G.
AU - Pauley, D. J.
N1 - Funding Information:
The apparatusf or this work was constructedw ith funds from the National Science Foundation. We thank Roger Bumgarner for considerable help in obtaining the rotational and distortion constants from the data and for help in measuringt he transitions.
PY - 1989/3/15
Y1 - 1989/3/15
N2 - 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.
AB - 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.
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U2 - 10.1016/0301-0104(89)80185-5
DO - 10.1016/0301-0104(89)80185-5
M3 - Article
AN - SCOPUS:0040490940
VL - 131
SP - 403
EP - 408
JO - Chemical Physics
JF - Chemical Physics
SN - 0301-0104
IS - 2-3
ER -