Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in the gas phase

Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in... The interactions between N,N-dimethylformamide (DMF) and fluoroform (CHF3) in the gas phase are studied with the help of FTIR spectroscopy. Temperature changes observed in the region of the CO stretching mode of DMF suggest a weak complex formation that results in a red wavenumber shift of the ν(CO) band. Series of van Hoff plots obtained by means of temperature and concentration spectroscopic measurements give the energy of the complex formation ΔE ∼ −19.6 kJ/mol. Ab initio calculations performed at the MP2/6–311++G(df,pd) level are in good agreement with the experimental results. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Molecular Structure Elsevier

Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in the gas phase

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0022-2860
eISSN
1872-8014
D.O.I.
10.1016/j.molstruc.2018.02.020
Publisher site
See Article on Publisher Site

Abstract

The interactions between N,N-dimethylformamide (DMF) and fluoroform (CHF3) in the gas phase are studied with the help of FTIR spectroscopy. Temperature changes observed in the region of the CO stretching mode of DMF suggest a weak complex formation that results in a red wavenumber shift of the ν(CO) band. Series of van Hoff plots obtained by means of temperature and concentration spectroscopic measurements give the energy of the complex formation ΔE ∼ −19.6 kJ/mol. Ab initio calculations performed at the MP2/6–311++G(df,pd) level are in good agreement with the experimental results.

Journal

Journal of Molecular StructureElsevier

Published: May 15, 2018

References

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