Abstract

In a study of chlorophenols and related compounds, 84 new NQR lines were observed in 31 samples including 6 chlorophenols, 17 aniline-chlorophenol complexes, 4 chloroanisoles and 4 sodium chlorophenates. A discussion of NQR results is proposed in terms of intermolecular interactions. In the chloroanisoles the crystalline field effect is estimated to 0.3 MHz whereas a further contribution, likely due to hydrogen bonding, should be considered in the chlorophenol series, bringing the global crystalline effect + intermolecular interaction to about 0.6 MHz. The proposed assignment of the NQR lines is supported by both an additive model of the substituent effect and a derivation of resonance frequencies from INDO calculation of molecular orbital populations.

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