Theory of Orientation and StereoselectionMany organic chemists will agree with me that the old "electronic theory" has for a long time been inadequate for the interpretation of various new findings in chemistry, particularly for those of reactivity. Considering the outstanding progress which has been made during the past 20 years in the interpretation of these facts, aided by the molecular orbital theory, the time has finally come for a new book showing what is within and what is beyond the reach of quantum-chemical methods. It was therefore highly suitable that Dr. F. L. Boschke of the Springer Verlag suggested to me to make a contribution to a volume in the series "Topics in Current Chemistry" in February 1969. The article was published as Vol. 15, No 1 in June 1970. This new book is an expanded version of the article written in 1970. In this present volume several of the most up-to-date findings which have been gained in organic chemistry since then have been added. It is highly probable that a certain "theoretical" design in the experimenta lists' mind may have been the reason for these developments, whether they themselves are aware of it or not. Theory produces new experimental ideas and conversely, a host of experimental data add another vista to new theories. Due to the mutual beneficial effect of theory and experiment this book will always retain its value, although the quantum-chemical approach to the theory of reactivity is, of course, still in the develop mental stage. |
Contents
Molecular Orbitals | 1 |
Chemical Reactivity Theory | 8 |
General Orientation Rule | 31 |
Copyright | |
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Common terms and phrases
acceptor anion antibonding AO's bond order butadiene c(LU calculation carbon atom cation Chem chemical reactions coefficient compounds conjugated conrotatory Cope rearrangement correlation diagram Coulomb cyclization cyclobutene delocalization delocalization interaction Diels-Alder reactions diene dienophile direction discussed disrotatory donor electron configuration electron delocalization equations ethylene example excited excited-state extension ƐAi ƐAj ƐAt ƐBk frontier orbitals H H H Hartree-Fock HO-LU interaction HOMO and LUMO Hückel hybridization hydrocarbons hydrogen atoms indicated in Fig intramolecular ith MO LCAO LU LU LU MO LUMO mentioned in Chap method mode molecule monoex nodal property nuclear configuration change nucleophilic occupied MO's occupied orbitals occupied-unoccupied olefins orbital energy orbital interaction orientation overlap integral particular MO's Phys polyenes position reactant reaction center reaction coordinate reaction path reactivity resonance integral respect singlet stabilization stereoselection symmetry theoretical theory thermal triplet uni-configurational unoccupied wave function Σ Σ ΣΣ осс