in the background in the region of the carboxylic acid band is possible [21], which apparent- ly should explain the decrease in the value for A c for trifluoroacetic acid. LITERATURE CITED i. A. K. Khairetdinova and I. S. Perelygin, Opt. Spektrosk., 26, 62 (1969). 2. I. S. Perelygin and T. F. Akhunov, Opt. Spektrosk., 3__O0,679 (1971). 3. I. S. Perelygin and A. M. Afanas'eva, Zh. Prikl. Spektrosk., 19, 500 (1973). 4. G. S. Denisov, Dokl. Akad. Nauk SSSR, 134, 1131 (1960). 5. G. V. Gusakova, G. S. Denisov, and A. L. Smolyanskii, Zh. Prikl. Spektrosk., i_~4, 860 (1971). 6. G. V. Gusakova, G. S. Denisov, and A. L. Smolyanskii, Zh. Prikl. Spektrosk., i_~7, 666 (1972). 7. T. F. Akhunov and I. S. Perelygin, Aspects of Molecular Spectroscopy [in Russian], Nauka, Novosibirsk (1974), p. 311. .~ 8. I. S. Perelygin and A. M. Afanas'eva, Zh. Strukt. Khim., I_~4, 6 (1973). 9. M. L. Kirszembaum, J. Corset, and M.-L. Josien, J. Phys. Chem., 7_~5, 1327 (1971). i0. D. Hadzi and N. Sheppard, Proc. Roy. Soc., A216, 247 (1953). ii. M. Haurie and A. Novak, Spectrochim. Acta, 2_~i,1217 (1965). 12. J. R. Barcelo, Ion (Esp), 3_~2, 594 (1972). 13. R. L. Redington and K. C. Lin, Spectrochim. Acta, 27A, 2445 (1971). 14. G. S. Denisov, Ya. Starosta, and V. I. Shraiber, Opt. Spektrosk., 35, 447 (1973). 15. G. M. Barrow, J. Amer. Chem. Soc., 78, 5802 (1956). 16. S. E. Odinokov, A. V. Iogansen, and A. K. Dzizenko, Zh. Prikl. Spektrosk., i~4, 418 (1971). 17. S. E. Odinokov and A. V. Iogansen, Zh. Prikl. Spektrosk., I_~4, 1076 (1971). 18. A. A. Mashkovskii, V. P. Glazunov, and S. E. Odinokov, Zh. Prikl. Spektrosk., 20, 852 (1974). 19. D. Hadzi and J. Rajnvajn, J. Chem. Soc., Faraday Trans., 6_~9,Part i, 151 (1973). 20. A. V. logansen, in: Optics and Spectroscopy [in Russian], Vol. 3, Nauka, Moscow (1967), p. 228. 21. L. Bellamy, Advances in the IR Spectroscopy of Complex Molecules [Russian translation], Mir, Moscow (1971), p. 295. IDENTIFICATION OF CHEMICAL COMPOUNDS FROM THEIR MOLECULAR SPECTRA BY APPLYING A PROGRAM FOR CONSTRUCTING THE STRUCTURAL FORMULAS FROM ATOMS AND FRAGMENTS M. E. Elyashberg, V. V. Serov, and L. A. Gribov UDC 535.33 The identification of a chemical compound from its molecular spectra using correlation tables [1-3] usually consists of two stages. The individual molecular fragments are first identified, and then anattempt is made to construct possible structural formulas of the un- known compound. The present paper describes the application of correlation tables together with the system of mathematical analysis and synthesis of structures MAASS [4, 5] developed by us. This combination of methods allows us to make wide use of diverse spectral and chem- ical information, as a result of which we have an automatic method of constructing the struc- tural formulas of all polymers satisfying a given molecular formula (MF), spectrum, and theory of chemical structure. 1977. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 26, No. 2, pp. 313-318, February, Original article submitted November 24, 1975. This material is protected by copyright registered in the name of Plenum Publishing Corporation, 227 West l 7th Street, New York, IV. Y. 10011. No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission of the publisher. A copy of this article is available from the publisher for $ Z30. 238