14N and 2H quadrupole double resonance in substituted imidazoles

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Abstract
The 14N and 2H quadrupole resonance frequencies have been measured for fifteen substituted imidazoles at room temperature by means of double-resonance techniques. The variations in the 14N quadrupole parameters of the amino nitrogen atom, N(1), are primarily determined by the hydrogen-bonding environment. Two interchanges of the 14N electric field gradient components are inferred to occur; the first involves the x and y axes when gaseous imidazole condenses to form a solid, and the second involves the y and z axes when |e2qQ/h|(14N) falls below 1.35 MHz, as in several imidazolium salts. Much smaller variations in the 14N quadrupole parameters of the imino nitrogen atom, N(3), are observed and their behaviour may be interpreted by assuming that an interchange between the x and y axes of the 14N electric field gradient tensor has occurred, relative to gaseous imidazole, in all the solids studied.

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