University of Illinois Urbana-Champaign

STRUCTURE DETERMINATION AND CH…F INTERACTIONS IN H2C=CHF…H2C=CF2 BY FOURIER-TRANSFORM MICROWAVE SPECTROSCOPY

Dorris, Rachel E.

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298738.pptx
814.pdf

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https://hdl.handle.net/2142/79161

Description

Title
STRUCTURE DETERMINATION AND CH…F INTERACTIONS IN H2C=CHF…H2C=CF2 BY FOURIER-TRANSFORM MICROWAVE SPECTROSCOPY
Author(s)
Dorris, Rachel E.
Contributor(s)
  • Peebles, Sean A.
  • Peebles, Rebecca A.
Issue Date
22-Jun-15
Keyword(s)
Structure determination
Date of Ingest
2016-01-05T20:04:30Z
Abstract
The structure of the weakly bound dimer between fluoroethylene (FE) and 1,1-difluoroethylene (DFE) has been determined using a combination of chirped-pulse and resonant-cavity Fourier-transform microwave spectroscopy over a 7.5 to 19 GHz range. The rotational constants of the most abundant isotopomer were determined to be $A$ = 6601.14(35) MHz, $B$ = 833.3336(5) MHz and $C$ = 744.0217(5) MHz, and are in excellent agreement with $ab$ $initio$ predictions at the MP2/6-311++G(2d,2p) level. Observation of all four unique $^{13}$C isotopologues in natural abundance allowed for a full structure determination, showing that the dimer takes on a planar configuration with the H--C--F end of FE aligned with one of the F--C=C--H sides of DFE, forming two inequivalent CH$cdots$F contacts. The dipole moment components ($mu$$_{a}$ = 0.9002(18) D, $mu$$_{b}$ = 0.0304(80) D) were determined using Stark effect measurements and confirm the observed structure.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/79161

Owning Collections

Abstracts & Presentations - 2015 International Symposium on Molecular Spectroscopy PRIMARY