33745-44-7Relevant academic research and scientific papers
Controlling the reactive state through cation binding: Photochemistry of enones within zeolites
Uppili, Sundararajan,Takagi, Shinsuke,Sunoj,Lakshminarasimhan,Chandrasekhar,Ramamurthy
, p. 2079 - 2083 (2001)
The nature of the lowest triplet state of enones is altered by the cations present within Y zeolites. Alkali metal ions, such as Li+, are predicted to interact with the carbonyl unit of enones in a collinear fashion and significantly lower both the p-type n and π-2 orbitals. Excited state energies, estimated at the CIS(D)/6-31+G* level, show that the lowest triplet is n-π* in character for the enones, but switch to π-π* on coordination with Li+. Observed product distribution within zeolite is consistent with this theoretical prediction.
