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Inne
Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in the gas phase.
Autorzy
Rok wydania
2018
Czasopismo
Journal of Molecular Structure
Numer woluminu
1160
Strony
328-332
DOI
10.1016/j.molstruc.2018.02.020
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
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.
Słowa kluczowe
FTIR spectroscopy, N,N-dimethylformamide, Fluoroform, Gas phase, Relative stability, ab initio calculations
Adres publiczny
http://dx.doi.org/10.1016/j.molstruc.2018.02.020
Strona internetowa wydawcy
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