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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.

In: Journal of Molecular Structure, Vol. 1160, 15.05.2018, p. 328-332.

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@article{75ea36b8eb004c0f8dc7743eee351740,
title = "Spectroscopic evidence of weak complex formation between N,N-dimethylformamide and fluoroform in the gas phase",
abstract = "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. ",
keywords = "FTIR spectroscopy, N,N-dimethylformamide, Fluoroform, Gas phase, Relative stability, ab initio calculations, FTIR spectroscopy, Fluoroform, Gas phase, N,N-dimethylformamide, Relative stability, ab initio calculations, AB-INITIO, IR, Relative stability ab initio calculations, DIMERS, MIXTURES, DFT, MATRIX-ISOLATION",
author = "R.E. Asfin and K.S. Rutkowski and M. Sa{\l}dyka",
year = "2018",
month = may,
day = "15",
doi = "10.1016/j.molstruc.2018.02.020",
language = "English",
volume = "1160",
pages = "328--332",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

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