Structure of the NH Stretching Band and (NH).. N Hydrogen Bond Frequencies in Purine


THE AH stretching band of a strongly hydrogen bonded AH..B system is usually very broad and may present a complicated structure consisting of numerous sub-bands. In order to explain these sub-bands, the frequency modulation theory—that is, that the sub-band frequencies can be represented, by the expression ν = νAnν(AH)..B, where n = 0,1,2… and ν(AH)..B is any hydrogen bond frequency—has been advanced in the literature1–3. In the case of imidazole, which contains strong NH..N hydrogen bonds, we have suggested that the hydrogen bond-frequencies do not seem to be a decisive factor in determining the sub-band structure of the νNH absorption4. In this communication, we wish to show that the same is true for purine, which contains a similar hydrogen bonded system, by comparing the behaviour of the νNH sub-bands and the far infrared hydrogen bond frequencies of different isotopic species at different temperatures.

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    Pimentel, G. C., and McClellan, A. L., in The Hydrogen Bond, 102, 246 (W. C. Freeman, San Francisco, 1960).

  2. 2

    Bellamy, L. J., and Pace, R. J., Spectrochim. Acta, 19, 435 (1963).

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    Chulanovski, V. M., and Simova, D., Dokl. Akad. Nauk, SSSR, 68, 1033 (1949).

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    Bellocq, A. M., Perchard, C., Novak, A., and Josien, M. L., J. Chim. Phys., 62, 1334 (1965).

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    Watson, G. D., Sweet, R. M., and Marsh, R. E., Acta Cryst., 19, 573 (1965).

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    Jakobsen, R. J., Mikawa, Y., and Brasch, J. W., Nature, 215, 1071 (1967).

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NOVAK, A., LAUTIE, A. Structure of the NH Stretching Band and (NH).. N Hydrogen Bond Frequencies in Purine. Nature 216, 1202–1203 (1967).

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