The Application of Molecular Orbital Calculations to Wood Chemistry. IV. The Formation of Methylol Derivatives
- 1 January 1986
- journal article
- research article
- Published by Taylor & Francis in Journal of Wood Chemistry and Technology
- Vol. 6 (4) , 505-521
- https://doi.org/10.1080/02773818608085242
Abstract
The initial steps in the formation of phenolic resins have been studied by the performance of molecular orbital calculations. The reactions that have been examined are those occurring between formaldehyde and phenol, under basic and acidic conditions. Energies and electronic distributions were de ter rained theoretically, and it was found the reaction is not strictly controlled by the total charge at the reactive centers, but rather seems to be influenced by the electron density in the highest occupied molecular orbital of the reactant molecules.This publication has 5 references indexed in Scilit:
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