Having a ball! Microwave spectrum of the (nearly) spherical top teflic acid
Herbers, Sven
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https://hdl.handle.net/2142/100843
Description
Title
Having a ball! Microwave spectrum of the (nearly) spherical top teflic acid
Author(s)
Herbers, Sven
Contributor(s)
Grabow, Jens-Uwe
Kraus, Peter
Obenchain, Daniel A.
Issue Date
2018-06-22
Keyword(s)
Fundamental interest
Date of Ingest
2018-08-17T16:09:53Z
2018-12-12T22:35:09Z
Abstract
The microwave spectrum of teflic acid (TeF5OH) in the range of 3 to 25 GHz was analyzed. Though teflic acid is an asymmetric top in its equilibrium structure, it behaves like a symmetric top because of the OH group internal rotation. The strongest transitions in the spectrum originate from the 130TeF5OH, 128TeF5OH and 126TeF5OH species as shown in the figure below. The TeF5 18OH, TeF5OD and TeF5 18OD isotopologues were also analyzed. From the rotational constants of the different istopologues and with help of quantum chemical calculations a semi empirical equilibrium structure of teflic acid was determined. The Te-O equilibrium bondlength was determined with accuracy to the hundredth of an angstrom.
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