Stabilization energy standard” geometry

A) is an equilibrium geometry corresponding to a it complex in the early stage of reaction the tt complex has a stabilization energy of 2.5 kcal/mol at the 4-31G (a standard double-zeta-level basis set)... 

The absorption spectrum of 7 in aqueous acidic solutions has also been detected. The vertical gas-phase ionization potential /p of benzene was measured from the He(I) photoelectron spectrum as 9.23 ev.37e standard anodic peak potential Ep could not be measured directly but was estimated from data for alkyl-substituted benzenes as 2.86 V vs NHE. Jahn-Teller distortion in 7 has been reviewed, and the high-resolution state-to-state threshold photoionization spectrum of benzene gives the shape of 7 8 and diminished significantly the mystery regarding the structure. The geometries, hyperfine structure, and relative stabilities of the two mono-deuterated Jahn—Teller-distorted ions CeHsD were examined theoretically and experimentally. EPR and ENDOR studies showed the toluene radical cation possessed the B2g structure. The IR spectra of the two Jahn—Teller forms of 7 were also calculated. On the basis of the calculated energy levels, both 7 and 8 have been classified as antiaromatic. ... 

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