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Gillies CW, Gillies JZ, Amadon SJ, et al. The Rotational Spectra, Structure, Internal Dynamics, and Electric Dipole Moment of the Argon-Ketene van der Waals Complex. J Mol Spectrosc. 2001;207(2):201-210doi: 10.1006/jmsp.2001.8351.
Gillies, C. W., Gillies, J. Z., Amadon, S. J., Suenram, R. D., Lovas, F. J., Warner, H., & Malloy, R. (2001). The Rotational Spectra, Structure, Internal Dynamics, and Electric Dipole Moment of the Argon-Ketene van der Waals Complex. Journal of molecular spectroscopy, 207(2), 201-210. https://doi.org/10.1006/jmsp.2001.8351
Gillies, C. W., et al. "The Rotational Spectra, Structure, Internal Dynamics, and Electric Dipole Moment of the Argon-Ketene van der Waals Complex." Journal of molecular spectroscopy vol. 207,2 (2001): 201-210. doi: https://doi.org/10.1006/jmsp.2001.8351
Gillies CW, Gillies JZ, Amadon SJ, Suenram RD, Lovas FJ, Warner H, Malloy R. The Rotational Spectra, Structure, Internal Dynamics, and Electric Dipole Moment of the Argon-Ketene van der Waals Complex. J Mol Spectrosc. 2001 Jun;207(2):201-210. doi: 10.1006/jmsp.2001.8351. PMID: 11397108.
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J Mol Spectrosc. 2001 Jun;207(2):201-210. doi: 10.1006/jmsp.2001.8351.

The Rotational Spectra, Structure, Internal Dynamics, and Electric Dipole Moment of the Argon-Ketene van der Waals Complex.

Journal of molecular spectroscopy

C. W. Gillies, J. Z. Gillies, S. J. Amadon, R. D. Suenram, F. J. Lovas, H. Warner, R. Malloy

Affiliations

  1. Department of Chemistry, Rensselaer Polytechnic Institute, Troy, New York, 12180

PMID: 11397108 DOI: 10.1006/jmsp.2001.8351

Abstract

Pulsed-beam Fourier transform microwave spectroscopy was used to observe and assign the rotational spectra of the argon-ketene van der Waals complex. Tunneling of the hydrogen or deuterium atoms splits the a- and b-type rotational transitions of H(2)CCO-Ar, H(2)(13)CCO-Ar, H(2)C(13)CO-Ar, and D(2)CCO-Ar into two states. This internal motion appears to be quenched for HDCCO-Ar where only one state is observed. The spectra of all isotopomers were satisfactorily fit to a Watson asymmetric top Hamiltonian which gave A=10 447.9248(10) MHz, B=1918.0138(16) MHz, C=1606.7642(15) MHz, Delta(J)=16.0856(70) kHz, Delta(JK)=274.779(64) kHz, Delta(K)=-152.24(23) kHz, delta(J)=2.5313(18) kHz, delta(K)=209.85(82) kHz, and h(K)=1.562(64) kHz for the A(1) state of H(2)CCO-Ar. Electric dipole moment measurements determined &mgr;(a)=0.417(10)x10(-30) C m [0.125(3) D] and &mgr;(b)=4.566(7)x10(-30) C m [1.369(2) D] along the a and b principal axes of the A(1) state of the normal isotopomer. A least squares fit of principal moments of inertia, I(a) and I(c), of H(2)CCO-Ar, H(2)(13)CCO-Ar, and H(2)C(13)CO-Ar for the A(1) states give the argon-ketene center of mass separation, R(cm)=3.5868(3) Å, and the angle between the line connecting argon with the center of mass of ketene and the C=C=O axis, θ(cm)=96.4 degrees (2). The spectral data are consistent with a planar geometry with the argon atom tilted toward the carbonyl carbon of ketene by 6.4 degrees from a T-shaped configuration. Copyright 2001 Academic Press.

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