Energy difference, between singlet and triplet

A large spin-donicity number is expected when the energy difference is smaller between the triplet and singlet states. Thus, spin-philicity and spin-donicity are also a measure of the energy differences between singlet and triplet states, furthermore, it has been demonstrated the applicability of these reactivity indexes in the prediction of the spin transfer observed in the spin-catalysis phenomenon [21], Equivalent quantities at fixed Ns ([Pg.150]

Table 7.1 summarizes the ground states for a variety of stmcturally diverse car-bene types and Table 7.2 gives a few specific values for the energy difference between singlets and triplets for some common carbenes. As you can see, in many cases the two reactive intermediates are very close in energy. 

Table 6.2 Calculated energy difference between singlet and triplet states of carbenes, A s t [89, 90]...

Particular attention has been devoted to the characterization and to the reactions of aryl carbenes. Energy differences between singlet and triplet ground state carbenes are usually... 

Equation 4.34 Energy difference between singlet and triplet excited configurations... 

The energy difference between singlet and triplet ( hh ) states (S-T... 

As shown in the previous chapter, the energy difference between singlet and triplet is proportional to the magnetic coupling strength. The energy expectation values of Ps and Pt are... 

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