Microwave Spectrum of the Argon-Tropolone van der Waals Complex

Journal Article · Thu May 14 04:00:00 EDT 2009 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/jp901086a· OSTI ID:968475

Lin, Wei ^[1]; Pringle, Wallace C. ^[2]; Novick, Stewart E. ^[2]; Blake, Thomas A. ^[3]

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1. Univ. of St. Mary, Leavenworth, KS (United States)
2. Wesleyan Univ., Middletown, CT (United States)
3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

The rotational spectrum of the argon-tropolone van der Waals complex in the ground vibrational state has been measured in the frequency range of 6 to 17 GHz using a pulsed-jet, Balle-Flygare-type Fourier transform microwave spectrometer. Eighty-six transitions for the complex (Ar-¹²C₇H₆¹⁶O₂) were observed, assigned, and fit using a Watson A-reduction Hamiltonian giving the rotational and centrifugal distortion constants A = 1080.4365(3) MHz, B = 883.4943(3) MHz, C = 749.0571(2) MHz, Δ_J = 2.591(2) kHz, Δ_JK = -3.32(1) kHz, Δ_K = 5.232(9) kHz, δ_J = 0.944(1) kHz, and δ_K = -0.028(8) kHz. The tunneling motion of the hydroxyl proton in the tropolone moiety is quenched in the ground electronic state by complexation with argon. The coordinates of the argon atom in the monomer’s principal axis system are a = 0.43 Å, b = 0.23 Å, c = 3.48 Å.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 968475
• Report Number(s): PNNL-SA--64502; 25617; KP1704020
• Journal Information: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 47 Vol. 113; ISSN 1932-7447
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
ARGON
ATOMS
Environmental Molecular Sciences Laboratory
FREQUENCY RANGE
HAMILTONIANS
PROTONS
TUNNELING
VIBRATIONAL STATES