Abstract

Two-dimensional (2D) nutation nuclear quadrupole resonance (NQR) spectroscopy of polycrystalline 2,6-dichlorophenol has been applied in order to study the effect of intramolecular hydrogen bonding on the electric field gradient (EFG) asymmetry parameter η. The superiority of the maximum entropy method (MEM) over the traditional fast Fourier transform (FFT) is demonstrated in analysis of 2D NQR data. The chlorine atom which is ortho to the hydroxyl group and involved in hydrogen bonding gave a value for η of 0.065 while the other chlorine gave a higher value of 0.140, independent of temperature in the range 77–284 K. These values are discussed in terms of hydrogen bonding and bond parameters.

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