Intermolecular hydrogen bonding between N-substituted caproamides and tetrahydrofuran

The results are reported of a study of hydrogen bonding between various N-substituted caproamides and tetrahydrofuran as an O-electron donor by means of FTIR spectroscopy. The spectroscopic characteristics for N-H...O hydrogen bonded complexes are given. The B3LYP functional with 6–31G** basis set h...

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Veröffentlicht in:	Journal of structural chemistry 2013-03, Vol.54 (2), p.431-436
Hauptverfasser:	Jović, B., Nikolić, A., Holló, B.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic Atomic/Molecular Structure and Spectra Brief Communications Chemistry Chemistry and Materials Science Inorganic Chemistry Molecular Optical and Plasma Physics Physical Chemistry Solid State Physics
Online-Zugang:	Volltext
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Zusammenfassung:	The results are reported of a study of hydrogen bonding between various N-substituted caproamides and tetrahydrofuran as an O-electron donor by means of FTIR spectroscopy. The spectroscopic characteristics for N-H...O hydrogen bonded complexes are given. The B3LYP functional with 6–31G** basis set has been used to calculate the structural parameters of the studied hydrogen bonded complexes. It can be assumed that both inductive and steric effects play an important role in the stability of these hydrogen bonded complexes.
ISSN:	0022-4766 1573-8779
DOI:	10.1134/S0022476613020212