Published: March 31, 1973Received: February 05, 1973Available on J-STAGE: June 28, 2010Accepted: -
Advance online publication: -
Revised: -
Correction information
Date of correction: June 28, 2010Reason for correction: -Correction: AFFILIATIONDetails: Wrong :
1) Hoshi College of Pharmacy, Ebara, Shinagawa-ku, Tokyo
Right :
1) Hoshi College of Pharmacy, Ebara,
Date of correction: June 28, 2010Reason for correction: -Correction: CITATIONDetails: Wrong : E E E E E E E E E E E E E E
Right : An MO Approach to the Interpretation of Organic Mass Spectra. IV. Part III: H. Ichikawa and M. Ogata, J. Amer. Chem. Soc., 95, 806(1973). F. W. McLafferty, Ed., “Mass Spectrometry of Organic Ions”, Academic Press, New York, N. Y. (1963), Chapter 7. H. Budzikiewicz, C. Djerassi, and D. H. Williams,.“Mass Spectrometry of Organic Compounds”, Holden-Day, San Francisco, Calif. (1967). C. S. Cummings and W. Bleakney, Phys. Rev., 58, 787(1940). R. C. Dougherty, J. Amer. Chem. Soc., 90, 5780(1968). (a)J. Lennard-Jones and G. G. Hall, Trans. Faraday Soc., 48, 581(1952);(b)K. Fueki and K. Hirota, Nippon Kagaku Zasshi, 81, 212(1960); (c)J. C. Lorquet, Mot Phys., 9, 101(1965); (d)K. Hirota and M. Itoh, Bull. Chem. Soc. Japan, 39, 1406(1966). J. A. Pople and G. A. Segal, J. Chem. Phys., 44, 3289(1966). J. A. Pople, D. L. Beveridge, and P. A. Dobosh, . J, Chem. Phys., 47, 2026(1967). M. S. Gordon, J. Amer. Chem. Soc., 91, 3122(1969). H. Fischer and H. Kollmar, Theoret. chim. Acta(Berl. ), 16, (1970). S. Ehrenson and S. Selzer, Theoret. chim. Acta(Berl. ), 20, 17(1971). Ref. 3, Chapters 2 and 8. M. Ogata and H. Ichikawa, Bull. Chem. Soc. Japan, 45, 3231(1972). I. Kanomata, Bull. Chem. Soc., Japan, 34, 1864(1961).
Electronic structures of simple molecular ions are calculated by the unrestricted CNDO/2 and INDO methods to show that organic chemical expressions for these ions are well reproduced. The conformational dependence of the strength of the β-bond on the heteroatom with the unpaired electron is discussed.
