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Microwave Spectrum of the Argon−Tropolone van der Waals Complex^†

Wei Lin^‡, Wallace C. Pringle^§, Stewart E. Novick^§ and Thomas A. Blake*

Department of Natural Sciences and Mathematics, University of Saint Mary, Leavenworth, Kansas 66048, Department of Chemistry, Wesleyan University, Middletown, Connecticut 06459, and Pacific Northwest National Laboratory, MS K8-88, P.O. Box 999, Richland, Washington 99352

J. Phys. Chem. A, 2009, 113 (47), pp 13076–13080

DOI: 10.1021/jp901086a

Publication Date (Web): May 14, 2009

†

Part of the “Robert W. Field Festschrift”.

, * Corresponding author. E-mail: ta.blake@pnl.gov. Phone: (509) 371-6131., ‡

University of Saint Mary.

, §

Wesleyan University.

Pacific Northwest National Laboratory.

This article is part of the

A: Robert W. Field Festschrift

special issue.

Abstract

The rotational spectrum of the argon−tropolone van der Waals complex in the ground vibrational state has been measured in the frequency range of 6−17 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, and c = 3.48 Å.

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History

Published In Issue November 26, 2009
Article ASAPMay 14, 2009
Received: February 5, 2009
Revised: April 23, 2009

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Article

Microwave Spectrum of the Argon−Tropolone van der Waals Complex^†