Molecular orbital analysis

Molecular orbital analysis of diatomic and triatomic fragments 

A MOLECULAR ORBITAL ANALYSIS OF THE DIELS-ALDER REACTION 

FIGURE 23. Molecular orbital analysis of the TS of the dimerization of hthium(alkoxy)silylenoid. Orbital correlation energy diagram ( ove) and molecular orbitals of HOMO (TS, TS(L) and TS(R)), HOMO-1 (TS) and cr -(Si2-02) (TS(R)) (below). Reprinted with permission from Reference 26. Copyright 1998 American Chemical Society 

Scheme 17.34 Molecular orbital analysis of putative metallo-nitrene.

Fig. 3.26 Frontier molecular orbital analysis for the Simmons-Smith cyclopropanation. [Dargel, T.K. Koch, W.J. Chem. Soc., Perkin Trans. 1996, 2, 877. Reproduced by pemiission of The Royal Society of Chemistry]

Huckel realized that his molecular orbital analysis of conjugated systems could be extended beyond neutral hydrocarbons He pointed out that cycloheptatrienyl cation also called tropyhum ion contained a completely conjugated closed shell six tt electron sys tern analogous to that of benzene 

These ohservations confirm the molecular orbital analysis of the E, state 

The anomeric effect is best explained by a molecular orbital analysis that is beyond the scope of this text. 

The ground states of P/ [26, 27] and As " [28] have D structures. Molecular orbital analysis revealed that the square planar dianion exliibits the characteristic 

The simple crystal field analysis of the effect of ligands on transition metal d-electron energies accords well with the deeper molecular orbital analysis (see e.g. [99]). In what way(s), however, is the crystal field method unrealistic  

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