THE ARGON-CYCLOPENTADIENYL THALLIUM WEAKLY-BOUND COMPLEX, ROTATIONAL SPECTRUM AND STRUCTURE
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Date
2008
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Publisher
Ohio State University
Abstract
The symmetric-top rotational spectrum of the neutral argon-cyclopentadienyl thallium complex was measured using a Flygare-Balle-type Fourier transform microwave spectrometer. This appears to be the first rotational spectrum for a noble gas-organometallic complex. The rotational constants are $B$ = 372.45 MHz for Ar-C$_5$H$_5^{205}$Tl and 373.35 MHz for Ar-C$_5$H$_5^{203}$Tl isotopomers. D$_J$ = 0.1 kHz and D$_{JK}$ = 0.4 kHz, indicating a fairly rigid structure. The argon atom is located on top of the cyclopentadienyl ring, on the a-axis of the C$_5$H$_5$Tl monomer, opposite the thallium atom. The separation distance between argon and the cyclopentadienyl ring is 3.56 \AA. The binding energy of Ar-C$_5$H$_5$Tl was estimated to be about 1-3 kJ mol$^{-1}$ using low-level MP2 theory.
Description
Author Institution: Department of Chemistry, The University of Arizona, Tucson, Arizona 85721.