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Group orbitals

The two localized sigma bonding orbitals, Oi and O2, of H2O. These are linear combinations of a sp hybrid (n 3) [Pg.18]

The it bond of ethylene (and other olefins) is a proper MO, highly localized to the two carbon atoms. It is the linear combination of the two 2p orbitals which is S with respect to reflection in the bisecting plane and.4 w.r.t. a 180° rotation about the C2 axis which contains that plane. All jr -type orbitals are A w.r.t. reflection in the nodal plane of the p orbitals themselves. [Pg.18]

0+ -A proper MO - a linear combination of the two localized bond orbitals which is S with respect to all symmetry operations of the Civ point group of H2O. [Pg.18]


The origin of the preference for the eclipsed conformation of propene can be explained in MO terms by focusing attention on the interaction between the double bond and the n component of the orbitals associated with the methyl group. The dominant interaction is a repulsive one between the filled methyl group orbitals and the filled n orbital of the double bond. This repulsive interaction is greater in the bisected conformation than in the eclipsed conformation. ... [Pg.132]

A Unified Approach Based on Bond Orbitals and Group Orbitals... [Pg.1]

CC and CH bond orbitals but also for the CTL, ami CH3 group orbitals. If the local symmetry elements are preserved in the full molecule, the 7r (or a) local orbitals can combine to give v (or o) molecular orbitals. The reader should, therefore, not be surprised to find, for instance, tt type molecular orbitals in cyclopropane which are delocalized over the CH2 groups. [Pg.3]

Two 7r-type CH2 group orbitals can be constructed in a similar manner (Fig. 7). The two electrons in the bonding 7tCH2 combination bring the total number of CH2 electrons to four, corresponding to the two electron pairs in the CH bonds. The reader will find 7rCH2... [Pg.6]

The interaction between the three cr localized orbitals is slightly more complex. As we have just shown, it is proper to start by combining orbitals of same energy (the crCIf2 pair), and then to interact the new combinations with the remaining orbitals. The procedure is simple here because, by symmetry, only the in-phase combination of the crCH2 group orbitals mixes with the acc bond orbital (see Fig. 17). The reader will notice that the acc orbital has been placed,... [Pg.13]

Another example which illustrates beautifully the mixing of a group orbitals to form delocalized molecular orbitals is benzene. First of all the six crcc bond orbitals interact to give six linear combinations which are delocalized over the entire carbon skeleton. The amplitudes of the various bond orbitals in each [Pg.23]

Are the Interactions between Localized Group Orbitals Useful in Predicting the Chemical Properties of Molecules ... [Pg.31]

Many applications have not been dealt with. For instance, it now appears possible to construct, from elementary group orbitals, the... [Pg.43]


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Allyl group orbitals

Amide functional group atomic orbital structure

Ammonia group orbitals

Atomic group orbitals

Benzene group orbitals

Benzyl group orbitals

Bonding surface group orbital

Carbonyl groups molecular orbitals

Carbonyl groups orbital picture

Ethyl group orbitals

Group 4 metal substituents singly occupied orbitals

Group Orbitals for Metals

Group Overlap of Metal and Ligand Orbitals

Group Product Functions and the Basis Orbitals

Group orbital

Group orbital density of states

Group orbitals and

Group orbitals atoms

Group orbitals character

Group orbitals definition

Group orbitals dicoordinated atoms

Group orbitals methyl

Group orbitals methylene

Group orbitals tricoordinated atoms

Group theory molecular orbitals

Group valence molecular orbitals

Hybrid orbitals electron-group geometry

Hydrogen group orbitals

Ligand group orbital

Ligand group orbital approach

Ligand group orbital approach bonding

Ligand group orbital approach linear molecules

Ligand group orbital approach triatomic molecules

Ligand group orbitals

Localized molecular orbitals anionic group, determination

Main-group clusters frontier orbitals

Methyl group molecular orbitals

Methylene groups, molecular orbitals

Orbits in space group theory

Orbits space group

Reducible representations group orbitals from

Singly occupied orbitals, group 4 metal

Spin-orbit coupling and double groups

Spin-orbit interaction in complexes the double group

Surface Group Orbitals

Surface group orbital

Symmetry adapted orbitals group

Symmetry group orbital

The Localized Orbitals of a CH2 Group

The Walsh Diagram and Group Orbitals

Transition metal surface group orbitals

Using Group Orbitals to Make Ethylene

Using the Group Orbitals to Construct Organometallic Complexes

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