Orbital symmetry correlation diagram

Figure 4. Orbital symmetry correlation diagram for R2PS2N3 and 1,3-...

Figure 5. Orbital symmetry correlation diagram for the planar (left) and folded (right) models of E(NSN)2E, where tt = as-(Reproduced from Inorg. Chem. 1982, 21, 982.)...

Orbital symmetry correlation diagram with respect to mirror plane S = Symmetric, A = Antisymmetric... 

Show, by construction of both a TS orbital array and an orbital symmetry correlation diagram, which of the following electrocyclizations are allowed. 

The orbital symmetry correlation diagram method was developed by Woodward and Hoffmann and extended by Longuet-Higgins and Abrahamson. 

The feasibility of cycloaddition reactions can be easily predicted on the basis of three methods, namely, orbital symmetry correlation-diagram method. 

Transfer Reactions by Orbital Symmetry Correlation-Diagram Method 285... 

The book opens with an introduction (Chapter 1), which, besides providing background information needed for appreciating different types of pericyclic reactions, outlines simple ways to analyze these reactions using orbital symmetry correlation diagram, frontier molecular orbital (FMO), and perturbation molecular orbital (PMO) methods. This chapter also has references to important published reviews and articles. 

Develop an orbital symmetry correlation diagram for the hexatriene-cyclohexadiene interconversion of Eq. 15.18. 

The application of correlation diagrams to photochemical processes goes back to the early work of Laidler and Shuler (1951). More recently, Longuet-Higgins and Abrahamson (1965) showed how orbital-symmetry correlations may be converted into state-symmetry correlations. Here the fundamental consideration is that states of the same symmetry do not cross, i.e. the result is an avoided crossing, while states of different symmetry do cross. The principles involved are illustrated in Fig. 19 for the dimerization of... 

Figure 11.16 Symmetry, basis orbitals, and correlation diagram for the it2s + tt4s cycloaddition. Symmetry classifications are with respect to the mirror plane illustrated.

In this section, we analyze the stable geometries for the Na4 and Mg4 clusters, using molecular orbital (MO) correlation diagrams interpolating between geometries. Structure deformation is often correlated with symmetry breaking, e.g. the Jahn-Teller effect (37), which stabilizes the electronic structures of metal clusters. 

Fig. 3.6 Symmetry correlation diagram for ethylene, butadiene, and cyclohexene orbitals...

The important concept is that it is possible to make certain spin and symmetry based selection rules for the prediction of allowed and forbidden chemical reactions. Also important is the so-called non-crossing rule introduced by Neumann and Wigner, and independently by Teller which states that two orbitals of the same symmetry cannot intersect in an orbital energy correlation diagram. Correlation diagrams can provide valuable information about the allowed transition state of a chemical reaction and therefore about possible outcomes of a chemical reaction. 

Seetion treats the spatial, angular momentum, and spin symmetries of the many-eleetron wavefunetions that are formed as anti symmetrized produets of atomie or moleeular orbitals. Proper eoupling of angular momenta (orbital and spin) is eovered here, and atomie and moleeular term symbols are treated. The need to inelude Configuration Interaetion to aehieve qualitatively eorreet deseriptions of eertain speeies eleetronie struetures is treated here. The role of the resultant Configuration Correlation Diagrams in the Woodward-Hoffmann theory of ehemieal reaetivity is also developed. 

Connecting the energy-ordered orbitals of reactants to those ofproducts according to symmetry elements that are preserved throughout the reaction produces an orbital correlation diagram. 

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