Summary
The truncated expansion of the function |x| was frequently used to express the total Hückel π-electron energy (E) in terms of moments. We now present an identity which connectsE with an infinite series of moments. This series is convergent. Lower and upper bounds forE are obtained, based on the same infinite moment expansion.
Similar content being viewed by others
References
Coulson CA (1940) Proc Cambridge Phil Soc 36:201
Ruedenberg K (1954) J Chem Phys 22:1878
Hall GG (1955) Proc Roy Soc (London) A229:251
Graovac A, Gutman I, Trinajstić N (1977) Topological approach to the chemistry of conjugated molecules. Springer, Berlin Heidelberg New York
Heilbronner E, Bock H (1968) Das HMO-Modell und seine Anwendung. Verlag Chemie, Weinheim
Gutman I (1992) Top Curr Chem 162 (in press)
Stepanov NF, Tatevsky VM (1961) Zh Strukt Khim 2:241
Stepanov NF, Tatevsky VM (1961) Zh Strukt Khim 2:452
Gutman I, Trinajstić N (1973) Chem Phys Lett 20:257
Jiang Y, Tang A, Hoffmann R (1984) Theor Chim Acta 66:183
Schmalz TG, Živković T, Klein DJ (1988) Stud Phys Theor Chem 54:173
Jiang Y, Zhang H (1989) Theor Chim Acta 75:279
Jiang Y, Zhu H, Zhang H, Gutman I (1989) Chem Phys Lett 159:159
Jiang Y, Zhang H (1990) Pure Appl Chem 62:451
Babić D, Graovac A, Gutman I (1991) Theor Chim Acta 79:403
Gutman I, Hall GG, Marković S, Stanković Z, Radivojević V (1991) Polyc Arom Comp (in press)
Dias JR (1985) Theor Chim Acta 68:107
Hall GG (1986) Theor Chim Acta 70:323
Marković S (1991) Theor Chim Acta (in press)
Marković S, Gutman I (1991) J Mol Struct (Theochem) 235:81
P. O. Löwdin (1990) J Math Chem 4:401
Gutman I, Trinajstić N (1972) Chem Phys Lett 17:535
Gutman I, Polansky OE (1986) Mathematical concepts in organic chemistry. Springer, Berlin Heidelberg New York
Gutman I (1977) J Chem Phys 66:1652
McClelland BJ (1971) J Chem Phys 54:640
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Gutman, I. Remark on the moment expansion of total π-electron energy. Theoret. Chim. Acta 83, 313–318 (1992). https://doi.org/10.1007/BF01113057
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF01113057