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Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in the gas phase. / Asfin, R.E.; Rutkowski, K.S.; Sałdyka, M.
в: Journal of Molecular Structure, Том 1160, 15.05.2018, стр. 328-332.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in the gas phase
AU - Asfin, R.E.
AU - Rutkowski, K.S.
AU - Sałdyka, M.
PY - 2018/5/15
Y1 - 2018/5/15
N2 - The interactions between N,N-dimethylformamide (DMF) and fluoroform (CHF 3) 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.
AB - The interactions between N,N-dimethylformamide (DMF) and fluoroform (CHF 3) 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.
KW - FTIR spectroscopy
KW - N,N-dimethylformamide
KW - Fluoroform
KW - Gas phase
KW - Relative stability
KW - ab initio calculations
KW - FTIR spectroscopy
KW - Fluoroform
KW - Gas phase
KW - N,N-dimethylformamide
KW - Relative stability
KW - ab initio calculations
KW - AB-INITIO
KW - IR
KW - Relative stability ab initio calculations
KW - DIMERS
KW - MIXTURES
KW - DFT
KW - MATRIX-ISOLATION
UR - http://www.scopus.com/inward/record.url?scp=85042659905&partnerID=8YFLogxK
UR - http://www.mendeley.com/research/spectroscopic-evidence-weak-complex-formation-between-nndimethylformamide-fluoroform-gas-phase
U2 - 10.1016/j.molstruc.2018.02.020
DO - 10.1016/j.molstruc.2018.02.020
M3 - Article
VL - 1160
SP - 328
EP - 332
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -
ID: 17318223