Wednesday, June 17, 2015
Ballroom B (Lawrence Convention Center)
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:
- NAM abstract_Haider_Sinha_Gupta_Final.pdf (1122.0KB) - Extended Abstract