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Molecular Orbital Theory of Orientation in Aromatic, Heteroaromatic, and Other Conjugated Molecules

1997; Linguagem: Inglês

10.1142/9789812795847_0002

1793-138X

Kenichi Fukui, Teijiro Yonezawa, CHIKAYOSHI NAGATA, Haruo Shingu,

Chemical Reaction Mechanisms

World Scientific Series in 20th Century ChemistryFrontier Orbitals and Reaction Paths, pp. 33-42 (1997) No AccessMolecular Orbital Theory of Orientation in Aromatic, Heteroaromatic, and Other Conjugated MoleculesKENICHI FUKUI, TEIJIRO YONEZAWA, CHIKAYOSHI NAGATA, and HARUO SHINGUKENICHI FUKUIFaculty of Engineering, Kyoto University, Kyoto, Japan, TEIJIRO YONEZAWAFaculty of Engineering, Kyoto University, Kyoto, Japan, CHIKAYOSHI NAGATAFaculty of Engineering, Kyoto University, Kyoto, Japan, and HARUO SHINGUFaculty of Engineering, Kyoto University, Kyoto, Japanhttps://doi.org/10.1142/9789812795847_0002Cited by:3 PreviousNext AboutSectionsPDF/EPUB ToolsAdd to favoritesDownload CitationsTrack CitationsRecommend to Library ShareShare onFacebookTwitterLinked InRedditEmail Abstract: As to the LCAO MO treatment of the orientation problem in chemical reactions of π-electron systems, the frontier electron concept which has been previously introduced by the authors for explaining the reactivities in aromatic hydrocarbons is subjected to an extension in the sense that the frontier orbitals are specified according to the type of reaction. Thus, fundamental postulates relating to the reactivities of π-electron systems are set up, which are believed to include general principles involved in the mechanism of both substitution and addition of electrophilic, nucleophilic, or radical type. On the basis of these postulates it is possible to predict the position of attack in conjugated molecules in all the three types of substitution as well as addition in a consistent manner . There is a nearly perfect agreement between the theoretical conclusions and experimental results hitherto reported. FiguresReferencesRelatedDetailsCited By 3Investigation (IR, UV-visible, fluorescence, X-ray diffraction and thermogravimetric) studies of Mn(II), Fe(III) and Cr(III) complexes of thiosemicarbazone derived from 4- pyridyl thiosemicarbazide and monosodium 5-sulfonatosalicylaldehyde and evaluation of their biological applicationsAhmed Fetoh, Mahdi A. Mohammed, Magdy M. Youssef and Gaber M. Abu El-Reash1 Jan 2023 | Journal of Molecular Structure, Vol. 1271Synthesis, Structural characterization, thermal, molecular modeling and biological studies of chalcone and Cr(III), Mn(II), Cu(II) Zn(II) and Cd(II) chelatesTarek A. Fayed, M. Gaber, Marwa N. El-Nahass, H.A. Diab and Mohammed M. El-Gamil1 Dec 2020 | Journal of Molecular Structure, Vol. 1221Synthesis, spectroscopic characterization and biological evaluation of a novel chemosensor with different metal ionsM. Gaber, Tarek A. Fayed, Marwa N. El‐Nahass, H.A. Diab and Mohammed M. El‐Gamil3 September 2019 | Applied Organometallic Chemistry, Vol. 33, No. 11 Frontier Orbitals and Reaction PathsMetrics History PDF download