Research Article

A Theoretical and Experimental Study on Esterification of Citric Acid with the Primary Alcohols and the Hydroxyl Groups of Cellulose Chain (n = 1-2) in Parched Condition

Table 1

Energy barrier of ring opening step in relation to the substituent R, which owns the +I effect in R-CH2-OH.

No.Substituent REa4Ea5Ea6

1H25.028.221.1
2CH325.228.421.1
3CH2CH325.128.421.0

The unit of Ea4, Ea5, and Ea6 is kcal/mol.