Effects of intermolecular interactions on the 1H, 13C and 14N NMR chemical shifts of N,N-Dimethylformamide dissolved in monosubstituted benzenes

• Autorzy: Jackowski K. , Makulski W. , Trenkner-Olejniczak Z.
• Języki publikacji: EN

Abstrakty

EN

1 H,13 C and 14 N NMR chemical shifts have been used to monitor the dilution process of JV,7V-dimethylformamide (DMF) in monosubstituted benzenes. Both the proton and carbon chemical shifts of non-equivalent methyl groups in DMF are spectacularly influenced by ASIS (Aromatic Solvent Induced Shift) effects at the low concentration of a solute. On the other hand, the destruction of DMF liquid structure itself is better seen when the 13C chemical shift of a carbonyl carbon and the 14N shift are verified. A good correlation between the latter NMR chemical shifts has been found. It is shown on the basis of GIAO-CHF model calculations that the destruction of solute dipole-dipole dimers may be responsible for the increase of carbonyl carbon and nitrogen shielding constants of DMF in solvents.

Słowa kluczowe

EN

intermolecular interactions; dimethylformamide; benzene; NMR spectroscopy

PL

oddziaływania międzycząsteczkowe; dwumetyloformamid; benzen; rezonans jądrowy magnetyczny

• Wydawca: Centrum Upowszechniania Nauki PAN
• Czasopismo: Bulletin of the Polish Academy of Sciences. Chemistry
• Rocznik: 2000
• Tom: Vol. 48, No. 1
• Strony: 81--89
• Opis fizyczny: Bibliogr. 21 poz.

Twórcy

autor

Jackowski K.

autor

Makulski W.

autor

Trenkner-Olejniczak Z.

• Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warszawa, Poland (Wydział Chemii, Uniwersytet Warszawski)