Classification of electronic

This is the property we now call spin angular momentum. Pauli found that he could obtain Stoner s classification of electronic configurations from the following simple assumption which constitutes the famous exclusion principle in its original form. 

Mulliken [3] presented a classification of electron donor-acceptor complexes based on the extent of intermolecular charge transfer that accompanies complex formation. An outer complex is one in which the intermolecular interaction B- XY is weak and there is little intra- or intermolecular electric charge redistribution, while an inner complex is one in which there is extensive electric charge (electrons or nuclei) redistribution to give [BX] + - -Y . Inner complexes are presumably more strongly bound in general than outer complexes. 

Exclusion Principle. The immediate significance of the quantum numbers lies in the fact that they make possible classification of electrons. Tables 2.1 and 2.2 summarize the number of possible categories. Most importantly, observations indicate that no two electrons in a many-electron atom have exactly the same orbital. Each electron must have a unique set of quantum numbers which describe its motion. This means... 

Although this classification of electron donors and acceptors often proves useful, these terms are only relative [14], under appropriate conditions, such as when the highest occupied molecular orbital is located between the orbitals of the potential donor and acceptor. Any molecule can exhibit both electron-donor and electron-acceptor properties [15]. Thus dimethyl-alloxazine, for example, acts as a donor to the strong acceptor TCNE (tetracyanoethylene) and as an acceptor to the strong donor pyrene [16]. This dual character applies particularly to iT-bonded molecules and is es-... 

Classification of a given structure into its most appropriate generic class relies on your ability to recognize electron-deficient species, leaving groups, and polarized multiple bonds. Figure 6.2 shows a flowchart for classification of electron sinks. 

Figure A.l Flowcharts for the classification of electron sources and sinks.

To link the classification of electronic excitation to CTs, the important concept is locality of the one-electron (hole) state created by the initial excitation step. First let us consider electrode-molecule-electrode (E-M-E) conductance, although we already know that starting from the Landauer approach is better. To trigger the electron transport, the bias should be applied between the electrodes. Applying constant bias... 

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