Nuclear quadrupole resonance study of some hydrogen-bonded complexes of hexamethylenetetramine

The 14N NQR spectrum of complexes of hexamethylenetetramine (HMT) with p-chlorophenol (1:2) (also the 3501 NQR spectrum in this compound), hydroquinone (1:1), and thiourea (1:2) was observed at 77 K. The analysis of the NQR data obtained for the H-bonded and non-H-bonded N atoms in the HMT complexes...

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Bibliographic Details
Published in:Journal of magnetic resonance (1969) 1983, Vol.51 (1), p.26-36
Main Authors: Murgich, Juan, Magaly Santana, R, Díaz, Olga E
Format: Article
Language:English
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Summary:The 14N NQR spectrum of complexes of hexamethylenetetramine (HMT) with p-chlorophenol (1:2) (also the 3501 NQR spectrum in this compound), hydroquinone (1:1), and thiourea (1:2) was observed at 77 K. The analysis of the NQR data obtained for the H-bonded and non-H-bonded N atoms in the HMT complexes showed that effects like polarization, exchange, and dispersion are as important as charge transfer in the charge rearrangement produced by weak and moderately strong H bonds. It was also found that the effect of the H bond on the electronic distribution is extended over the entire molecule and that the crystalline electric field also produced additional molecular charge rearrangement.
ISSN:0022-2364
1557-8968
DOI:10.1016/0022-2364(83)90097-5