Abstract
A new method for the evaluation of partial structure character (PC) in a conjugated molecule is proposed and used to calculate the PCs of some conjugated molecules. When PC is represented by the propagator technique or the method of second quantization, the physical meaning of different types of PC is clarified.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
O.E. Polansky and G. Derflinger, Int. J. Quant. Chem. 1 (1967)379.
W.C. Herndon and M.L. Ellsey, Jr., J. Amer. Chem. Soc. 96 (1974)6331.
M. Randié, Tetrahedron 30 (1974)2067.
M. Randié, Tetrahedron 31 (1975)1477.
H. Hosoya and T. Yamaguchi Tetrahedron Lett. (1975)4659.
J. Aihara, Bull. Chem. Soc. Japan 49 (1976)1429.
M. Aida and H. Hosoya, Tetrahedron 36 (1980)1317.
M. Shobu and H. Hosoya, Nat. Sci. Rep. Ochanomizu Univ. 32 (1981)55.
H. Hosoya, M. Shobu, K. Takano and Y. Fujii, Pure Appl. Chem. 55 (1983)269.
K. Sakurai, K. Kitauraand K. Nishimoto, Theor. Chim. Acta 69 (1986)23.
K. Sakurai and K. Nishimoto, Collec. Czecho. Chem. Commun. 53 (1988)2339.
K. Sakurai and K. Nishimoto, Chem. Phys. Lett. 144 (1988)353.
L.I. Schiff,Quantum Mechanics, 3rd Edition (McGraw-Hill, New York) p. 503.
J. Linderberg and Y. Öhm,Propagators in Quantum Chemistry, Academic Press, New York, 1973).
C.A. Coulson and H.C. Longuet—Higgins, Proc. Roy. Soc. London A191 (1947)39.
C.A. Coulson and H.C. Longuet—Higgins, Proc..Roy. Soc. London A192 (1947)16.
Author information
Authors and Affiliations
Additional information
received by the Publisher 20 September 1989
Rights and permissions
About this article
Cite this article
Sakurai, K., Nishimoto, K. Propagator representation for partial structure character in conjugated systems. J Math Chem 3, 377–382 (1989). https://doi.org/10.1007/BF01169018
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF01169018