P-W-B-189 WITHDRAWN On the Mechanism of the Ring-Opening of Biomass Derived 2-Pyrones to Produce High Value Chemicals

Wednesday, June 17, 2015
Ballroom B (Lawrence Convention Center)
Shelaka Gupta1, Nishant Sinha2 and M. Ali Haider1, (1)Indian Institute of Technology Delhi, India, (2)Accelrys KK,, India.
Catalytic processing of four different 2-pyrone molecules via ring-opening reaction was studied using DFT. Ring-opening is suggested to proceed via proton attack on the carbonyl oxygen with an intrinsic barrier of about 25 kJ/mol. Batch reactions were performed on a 2-pyrone molecule to transform it into a high value chemical.

Extended Abstracts: