Quantum-chemical calculations of the electronic structures of the phenolate ions of compounds modeling lignin in the ground and electronically excited states have been made by the CNDO/S method. The intramolecular electron donor-acceptor interactions in the phenolate anion on excitation and the nature of the lowest electronically excited states are discussed on the basis of the results obtained.
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Burlakov, V.M., Chupka, É.I., Chuvashev, D.D. et al. Intramolecular interactions and nature of the lowest electronically excited states in compounds modeling the structural unit of lignin. II. Phenolate anions. Chem Nat Compd 24, 235–241 (1988). https://doi.org/10.1007/BF00596758
- Organic Chemistry
- Excited State
- Structural Unit
- Compound Modeling