Title

Oxygen-17 nuclear quadrupole double resonance. 6. Effects of hydrogen bonding

Document Type

Article

Publication Date

1-1-1981

Abstract

The 17O nuclear quadrupole resonance (NQR) spectra in natural abundance of organic compounds having inter-and intramolecular hydrogen bonds in the solid state have been measured at 77 K via a field-cycling double-resonance technique. The compounds studied are 2-, 3-, and 4-hydroxybenzaldehyde; 2-nitrobenzoic acid; 2-hydroxybenzoic acid; chloranilic acid; 1,4- and 1,8-dihydroxyanthraquinone; 2-, 3-, and 4-nitrophenol; 2-chlorophenol; catechol; 1-hydroxy-9-fluorenone; 4(1H)-pyridinone; and benzoin. For comparison of the effect of hydrogen bonding upon the 17O NQR data, the following compounds were also studied: 9-fluorenone, benzyl benzoate, dibenzyl ether, and diphenyl ether. The effect of hydrogen bonding is evaluated by comparison of two structurally similar compounds, one of which exhibits hydrogen bonding, while the other does not. Hydrogen bonding produces a large effect upon the 17O electric field gradient at both hydrogen bond donor and acceptor sites. For short hydrogen bonds, a reduction in the 17O quadrupole coupling constant of 20% has been observed. © 1981 American Chemical Society.

Publication Source (Journal or Book title)

Journal of Physical Chemistry

First Page

2738

Last Page

2740

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